4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid

C20H22N2O5 — CID 119170708

IUPAC4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
SMILESCOc1ccc(C(=O)NC(C(=O)NCCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5/c1-27-16-11-9-15(10-12-16)19(25)22-18(14-6-3-2-4-7-14)20(26)21-13-5-8-17(23)24/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeyVQMYANADLAXDOR-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.15
Rot. Bonds9

About 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid

4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid (PubChem CID 119170708) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
PubChem CID119170708
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
SMILESCOc1ccc(C(=O)NC(C(=O)NCCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5/c1-27-16-11-9-15(10-12-16)19(25)22-18(14-6-3-2-4-7-14)20(26)21-13-5-8-17(23)24/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeyVQMYANADLAXDOR-UHFFFAOYSA-N
XLogP2.15
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
CID 167917675
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
CID 119364694
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 7288100
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid (CID 119170708) is 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid is COc1ccc(C(=O)NC(C(=O)NCCCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid?
The InChIKey is VQMYANADLAXDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-27-16-11-9-15(10-12-16)19(25)22-18(14-6-3-2-4-7-14)20(26)21-13-5-8-17(23)24/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,21,26)(H,22,25)(H,23,24).
What are the key properties of 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid?
4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid is sourced from PubChem (CID 119170708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).