4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid

C20H23NO5 — CID 120546954

IUPAC4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
SMILESCOc1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-25-16-9-10-17(18(13-16)26-2)20(24)21-15(8-11-19(22)23)12-14-6-4-3-5-7-14/h3-7,9-10,13,15H,8,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKBQUUEBFLYHEOG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds9

About 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid

4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid (PubChem CID 120546954) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
PubChem CID120546954
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
SMILESCOc1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-25-16-9-10-17(18(13-16)26-2)20(24)21-15(8-11-19(22)23)12-14-6-4-3-5-7-14/h3-7,9-10,13,15H,8,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKBQUUEBFLYHEOG-UHFFFAOYSA-N
XLogP2.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511984
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547272
4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
CID 120690192
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid (CID 120546954) is 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid is COc1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid?
The InChIKey is KBQUUEBFLYHEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-25-16-9-10-17(18(13-16)26-2)20(24)21-15(8-11-19(22)23)12-14-6-4-3-5-7-14/h3-7,9-10,13,15H,8,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid?
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).