8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride

C68H100Cl3FN6O12 — CID 160772846

IUPAC8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride
SMILESC.C.C.CC.CC.CC.CC.CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cccc2ccc(O)cc12.F.Nc1cccc2ccc(O)cc12.O=C(CCl)Nc1cccc2ccc(O)cc12.O=C(CNCCO)Nc1cccc2ccc(O)cc12.O=C(Cl)CCl.[H][3H]
InChIInChI=1S/C19H24N2O5.C14H16N2O3.C12H10ClNO2.C10H9NO.C2H2Cl2O.4C2H6.3CH4.FH.H2/c1-19(2,3)26-18(25)21(9-10-22)12-17(24)20-16-6-4-5-13-7-8-14(23)11-15(13)16;17-7-6-15-9-14(19)16-13-3-1-2-10-4-5-11(18)8-12(10)13;13-7-12(16)14-11-3-1-2-8-4-5-9(15)6-10(8)11;11-10-3-1-2-7-4-5-8(12)6-9(7)10;3-1-2(4)5;4*1-2;;;;;/h4-8,11,22-23H,9-10,12H2,1-3H3,(H,20,24);1-5,8,15,17-18H,6-7,9H2,(H,16,19);1-6,15H,7H2,(H,14,16);1-6,12H,11H2;1H2;4*1-2H3;3*1H4;2*1H/i;;;;;;;;;;;;;1+2
InChIKeyRZNYADXCMHKXEF-OXOGQTRDSA-N
MW1320.94 g/mol
LogP16.03
Rot. Bonds13

About 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride

8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride (PubChem CID 160772846) has the molecular formula C68H100Cl3FN6O12 and a molecular weight of 1320.94 g/mol. Its IUPAC name is 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride.

Molecular Properties

Compound Name8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride
PubChem CID160772846
Molecular FormulaC68H100Cl3FN6O12
Molecular Weight1320.94 g/mol
Exact Mass1318.65
IUPAC Name8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride
SMILESC.C.C.CC.CC.CC.CC.CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cccc2ccc(O)cc12.F.Nc1cccc2ccc(O)cc12.O=C(CCl)Nc1cccc2ccc(O)cc12.O=C(CNCCO)Nc1cccc2ccc(O)cc12.O=C(Cl)CCl.[H][3H]
InChIInChI=1S/C19H24N2O5.C14H16N2O3.C12H10ClNO2.C10H9NO.C2H2Cl2O.4C2H6.3CH4.FH.H2/c1-19(2,3)26-18(25)21(9-10-22)12-17(24)20-16-6-4-5-13-7-8-14(23)11-15(13)16;17-7-6-15-9-14(19)16-13-3-1-2-10-4-5-11(18)8-12(10)13;13-7-12(16)14-11-3-1-2-8-4-5-9(15)6-10(8)11;11-10-3-1-2-7-4-5-8(12)6-9(7)10;3-1-2(4)5;4*1-2;;;;;/h4-8,11,22-23H,9-10,12H2,1-3H3,(H,20,24);1-5,8,15,17-18H,6-7,9H2,(H,16,19);1-6,15H,7H2,(H,14,16);1-6,12H,11H2;1H2;4*1-2H3;3*1H4;2*1H/i;;;;;;;;;;;;;1+2
InChIKeyRZNYADXCMHKXEF-OXOGQTRDSA-N
XLogP16.03
TPSA293.34 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001320.94
LogP ≤ 516.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride with MolForge

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Related Compounds

ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide
CID 91324175
tert-butyl N-[2-[2-(2,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-N-(2-hydroxyethyl)carbamate
CID 126602025
tert-butyl N-[3-(2-amino-6-bromoanilino)propyl]-N-(2-hydroxyethyl)carbamate
CID 169121651
8-aminonaphthalen-2-ol;ethane
CID 91086643
tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate
CID 58982171
2-amino-N-(7-hydroxynaphthalen-1-yl)acetamide;hydrochloride
CID 70150550
propyl N-(7-hydroxynaphthalen-1-yl)carbamate
CID 19768158
2-amino-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 18475864
[7-[4-amino-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]naphthalen-1-yl]carbamic acid
CID 68565337
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
N-(7-hydroxynaphthalen-1-yl)-2-(2-methoxyphenyl)acetamide
CID 11209005
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043

Frequently Asked Questions

What is the IUPAC name of 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride?
The IUPAC name of 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride (CID 160772846) is 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride.
What is the SMILES notation for 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride?
The canonical SMILES for 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride is C.C.C.CC.CC.CC.CC.CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cccc2ccc(O)cc12.F.Nc1cccc2ccc(O)cc12.O=C(CCl)Nc1cccc2ccc(O)cc12.O=C(CNCCO)Nc1cccc2ccc(O)cc12.O=C(Cl)CCl.[H][3H].
What is the InChIKey of 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride?
The InChIKey is RZNYADXCMHKXEF-OXOGQTRDSA-N. The full InChI is InChI=1S/C19H24N2O5.C14H16N2O3.C12H10ClNO2.C10H9NO.C2H2Cl2O.4C2H6.3CH4.FH.H2/c1-19(2,3)26-18(25)21(9-10-22)12-17(24)20-16-6-4-5-13-7-8-14(23)11-15(13)16;17-7-6-15-9-14(19)16-13-3-1-2-10-4-5-11(18)8-12(10)13;13-7-12(16)14-11-3-1-2-8-4-5-9(15)6-10(8)11;11-10-3-1-2-7-4-5-8(12)6-9(7)10;3-1-2(4)5;4*1-2;;;;;/h4-8,11,22-23H,9-10,12H2,1-3H3,(H,20,24);1-5,8,15,17-18H,6-7,9H2,(H,16,19);1-6,15H,7H2,(H,14,16);1-6,12H,11H2;1H2;4*1-2H3;3*1H4;2*1H/i;;;;;;;;;;;;;1+2.
What are the key properties of 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride?
8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride has a molecular weight of 1320.94 g/mol, XLogP of 16.03, 13 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminonaphthalen-2-ol;tert-butyl N-(2-hydroxyethyl)-N-[2-[(7-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]carbamate;2-chloroacetyl chloride;2-chloro-N-(7-hydroxynaphthalen-1-yl)acetamide;ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide;methane;tritium monohydride;hydrofluoride is sourced from PubChem (CID 160772846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).