2-(4-phenylmethoxyanilino)propanoic acid

C16H17NO3 — CID 22078170

IUPAC2-(4-phenylmethoxyanilino)propanoic acid
SMILESCC(Nc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-12(16(18)19)17-14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3,(H,18,19)
InChIKeyVPMNIUPJRPMXSU-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-phenylmethoxyanilino)propanoic acid

2-(4-phenylmethoxyanilino)propanoic acid (PubChem CID 22078170) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-phenylmethoxyanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-phenylmethoxyanilino)propanoic acid
PubChem CID22078170
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4-phenylmethoxyanilino)propanoic acid
SMILESCC(Nc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-12(16(18)19)17-14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3,(H,18,19)
InChIKeyVPMNIUPJRPMXSU-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one
CID 143735072
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
benzyl 2-(4-methoxyanilino)propanoate
CID 164679734
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyanilino)propanoic acid?
The IUPAC name of 2-(4-phenylmethoxyanilino)propanoic acid (CID 22078170) is 2-(4-phenylmethoxyanilino)propanoic acid.
What is the SMILES notation for 2-(4-phenylmethoxyanilino)propanoic acid?
The canonical SMILES for 2-(4-phenylmethoxyanilino)propanoic acid is CC(Nc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-(4-phenylmethoxyanilino)propanoic acid?
The InChIKey is VPMNIUPJRPMXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(16(18)19)17-14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-phenylmethoxyanilino)propanoic acid?
2-(4-phenylmethoxyanilino)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyanilino)propanoic acid is sourced from PubChem (CID 22078170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).