N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine

C83H102I2N4O10 — CID 159235408

IUPACN-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine
SMILESC.C.C.C.C.C.COc1ccc2cc(O)cc(CCNC(C)=O)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CC#N)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CCN)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CCNC(C)=O)c2c1.II
InChIInChI=1S/C22H23NO3.C20H21NO2.C20H17NO2.C15H17NO3.6CH4.I2/c1-16(24)23-11-10-19-13-21(26-15-17-6-4-3-5-7-17)12-18-8-9-20(25-2)14-22(18)19;2*1-22-18-8-7-16-11-19(12-17(9-10-21)20(16)13-18)23-14-15-5-3-2-4-6-15;1-10(17)16-6-5-12-8-13(18)7-11-3-4-14(19-2)9-15(11)12;;;;;;;1-2/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,24);2-8,11-13H,9-10,14,21H2,1H3;2-8,11-13H,9,14H2,1H3;3-4,7-9,18H,5-6H2,1-2H3,(H,16,17);6*1H4;
InChIKeyKTKGVCZZSBANSH-UHFFFAOYSA-N
MW1569.55 g/mol
LogP20.35
Rot. Bonds22

About N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine

N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine (PubChem CID 159235408) has the molecular formula C83H102I2N4O10 and a molecular weight of 1569.55 g/mol. Its IUPAC name is N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine.

Molecular Properties

Compound NameN-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine
PubChem CID159235408
Molecular FormulaC83H102I2N4O10
Molecular Weight1569.55 g/mol
Exact Mass1568.57
IUPAC NameN-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine
SMILESC.C.C.C.C.C.COc1ccc2cc(O)cc(CCNC(C)=O)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CC#N)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CCN)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CCNC(C)=O)c2c1.II
InChIInChI=1S/C22H23NO3.C20H21NO2.C20H17NO2.C15H17NO3.6CH4.I2/c1-16(24)23-11-10-19-13-21(26-15-17-6-4-3-5-7-17)12-18-8-9-20(25-2)14-22(18)19;2*1-22-18-8-7-16-11-19(12-17(9-10-21)20(16)13-18)23-14-15-5-3-2-4-6-15;1-10(17)16-6-5-12-8-13(18)7-11-3-4-14(19-2)9-15(11)12;;;;;;;1-2/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,24);2-8,11-13H,9-10,14,21H2,1H3;2-8,11-13H,9,14H2,1H3;3-4,7-9,18H,5-6H2,1-2H3,(H,16,17);6*1H4;
InChIKeyKTKGVCZZSBANSH-UHFFFAOYSA-N
XLogP20.35
TPSA192.85 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.55
LogP ≤ 520.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine with MolForge

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Related Compounds

N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide
CID 23360886
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
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N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(7-cyclopropyloxy-3-hydroxynaphthalen-1-yl)ethyl]acetamide
CID 162686348
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
CID 11640049
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine?
The IUPAC name of N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine (CID 159235408) is N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine.
What is the SMILES notation for N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine?
The canonical SMILES for N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine is C.C.C.C.C.C.COc1ccc2cc(O)cc(CCNC(C)=O)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CC#N)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CCN)c2c1.COc1ccc2cc(OCc3ccccc3)cc(CCNC(C)=O)c2c1.II.
What is the InChIKey of N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine?
The InChIKey is KTKGVCZZSBANSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3.C20H21NO2.C20H17NO2.C15H17NO3.6CH4.I2/c1-16(24)23-11-10-19-13-21(26-15-17-6-4-3-5-7-17)12-18-8-9-20(25-2)14-22(18)19;2*1-22-18-8-7-16-11-19(12-17(9-10-21)20(16)13-18)23-14-15-5-3-2-4-6-15;1-10(17)16-6-5-12-8-13(18)7-11-3-4-14(19-2)9-15(11)12;;;;;;;1-2/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,24);2-8,11-13H,9-10,14,21H2,1H3;2-8,11-13H,9,14H2,1H3;3-4,7-9,18H,5-6H2,1-2H3,(H,16,17);6*1H4;.
What are the key properties of N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine?
N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine has a molecular weight of 1569.55 g/mol, XLogP of 20.35, 22 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine is sourced from PubChem (CID 159235408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).