ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide

C16H22N2O3 — CID 91324175

IUPACethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide
SMILESCC.O=C(CNCCO)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C14H16N2O3.C2H6/c17-7-6-15-9-14(19)16-13-3-1-2-10-4-5-11(18)8-12(10)13;1-2/h1-5,8,15,17-18H,6-7,9H2,(H,16,19);1-2H3
InChIKeyOUHKSJOVRSCUKH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.09
Rot. Bonds5

About ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide

ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide (PubChem CID 91324175) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide
PubChem CID91324175
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide
SMILESCC.O=C(CNCCO)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C14H16N2O3.C2H6/c17-7-6-15-9-14(19)16-13-3-1-2-10-4-5-11(18)8-12(10)13;1-2/h1-5,8,15,17-18H,6-7,9H2,(H,16,19);1-2H3
InChIKeyOUHKSJOVRSCUKH-UHFFFAOYSA-N
XLogP2.09
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(7-hydroxynaphthalen-1-yl)acetamide;hydrochloride
CID 70150550
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
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
2-amino-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 18475864
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
N-(7-hydroxynaphthalen-1-yl)-2-(2-methoxyphenyl)acetamide
CID 11209005
propyl N-(7-hydroxynaphthalen-1-yl)carbamate
CID 19768158
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane
CID 145260626
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide?
The IUPAC name of ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide (CID 91324175) is ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide.
What is the SMILES notation for ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide?
The canonical SMILES for ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide is CC.O=C(CNCCO)Nc1cccc2ccc(O)cc12.
What is the InChIKey of ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide?
The InChIKey is OUHKSJOVRSCUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.C2H6/c17-7-6-15-9-14(19)16-13-3-1-2-10-4-5-11(18)8-12(10)13;1-2/h1-5,8,15,17-18H,6-7,9H2,(H,16,19);1-2H3.
What are the key properties of ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide?
ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 91324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).