4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

C23H23NO3 — CID 174471581

IUPAC4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
SMILESCC(C(=O)Nc1cccc(CCCC(=O)O)c1)c1cccc2ccccc12
InChIInChI=1S/C23H23NO3/c1-16(20-13-6-10-18-9-2-3-12-21(18)20)23(27)24-19-11-4-7-17(15-19)8-5-14-22(25)26/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyQXEIDJZDWLWTNO-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.99
Rot. Bonds7

About 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid (PubChem CID 174471581) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
PubChem CID174471581
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
SMILESCC(C(=O)Nc1cccc(CCCC(=O)O)c1)c1cccc2ccccc12
InChIInChI=1S/C23H23NO3/c1-16(20-13-6-10-18-9-2-3-12-21(18)20)23(27)24-19-11-4-7-17(15-19)8-5-14-22(25)26/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyQXEIDJZDWLWTNO-UHFFFAOYSA-N
XLogP4.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 91562881
4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 10156574
4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
CID 174458881
4-[4-(benzenesulfinylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23017572
4-[4-[[(3-methylbenzoyl)amino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23016966
4-[3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]phenyl]butanoic acid
CID 18984386
3-chloro-4-fluoro-N-[[3-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzamide
CID 141063781
N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142214275
3-[3-[2-(2-methylpyrazol-3-yl)propanoylamino]phenyl]propanoic acid
CID 122111322
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
CID 122078849
2-naphthalen-1-ylpropanehydrazide
CID 116843953
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
The IUPAC name of 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid (CID 174471581) is 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid.
What is the SMILES notation for 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
The canonical SMILES for 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid is CC(C(=O)Nc1cccc(CCCC(=O)O)c1)c1cccc2ccccc12.
What is the InChIKey of 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
The InChIKey is QXEIDJZDWLWTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16(20-13-6-10-18-9-2-3-12-21(18)20)23(27)24-19-11-4-7-17(15-19)8-5-14-22(25)26/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid?
4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid has a molecular weight of 361.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid is sourced from PubChem (CID 174471581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).