3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide

C23H25NO2 — CID 2849137

IUPAC3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)CC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H25NO2/c1-16(2)15-24-22(26)14-20(17-8-4-3-5-9-17)23-19-11-7-6-10-18(19)12-13-21(23)25/h3-13,16,20,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyAGSRGDSSSTYNSQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.84
Rot. Bonds6

About 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide

3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 2849137) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID2849137
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)CC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H25NO2/c1-16(2)15-24-22(26)14-20(17-8-4-3-5-9-17)23-19-11-7-6-10-18(19)12-13-21(23)25/h3-13,16,20,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyAGSRGDSSSTYNSQ-UHFFFAOYSA-N
XLogP4.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, N-[(2-hydroxy-1-naphthalenyl)methyl]-
CID 796808
Cyclohexanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071655
N-[2-(9-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]butanamide
CID 9926755
3-(2-Hydroxy-3,4-dimethylphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 4586649
N-(2-(7-hydroxy-1-naphthyl)ethyl)acetamide
CID 11775984
Napropamide Isomer 2
CID 139595061
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 4110386
H-Tyr(2,6-diMe)-Pro-1Nal-NH2
CID 86302365
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-(2-phenylphenyl)propanamide
CID 145961040
N-[(2-hydroxy-1-naphthyl)(phenyl)methyl]butanamide
CID 2841424
3-(2-hydroxyphenyl)-3-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 2900449
N-[(2-Hydroxy-naphthalen-1-yl)-phenyl-methyl]-3-methyl-butyramide
CID 2928633

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide (CID 2849137) is 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide is CC(C)CNC(=O)CC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is AGSRGDSSSTYNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16(2)15-24-22(26)14-20(17-8-4-3-5-9-17)23-19-11-7-6-10-18(19)12-13-21(23)25/h3-13,16,20,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxynaphthalen-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 2849137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).