4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide

C17H22N2O2 — CID 174896896

IUPAC4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide
SMILESCCCNC(CCO)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c1-2-10-18-16(9-11-20)17(21)19-15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12,16,18,20H,2,9-11H2,1H3,(H,19,21)
InChIKeyIPGGOXYEZTVQQV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds7

About 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide

4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide (PubChem CID 174896896) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide
PubChem CID174896896
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide
SMILESCCCNC(CCO)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c1-2-10-18-16(9-11-20)17(21)19-15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12,16,18,20H,2,9-11H2,1H3,(H,19,21)
InChIKeyIPGGOXYEZTVQQV-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290
(2R)-2-(butylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592870
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
CID 111799046
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
tert-butyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(naphthalen-2-ylamino)-1-oxohexan-2-yl]carbamate
CID 135564367
(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
CID 26584980
tert-butyl (5S)-2-amino-5-(methylamino)-6-(naphthalen-2-ylamino)-6-oxohexanoate
CID 149437578
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide?
The IUPAC name of 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide (CID 174896896) is 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide.
What is the SMILES notation for 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide?
The canonical SMILES for 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide is CCCNC(CCO)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide?
The InChIKey is IPGGOXYEZTVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-10-18-16(9-11-20)17(21)19-15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12,16,18,20H,2,9-11H2,1H3,(H,19,21).
What are the key properties of 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide?
4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide is sourced from PubChem (CID 174896896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).