2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid

C19H21NO4 — CID 119223350

IUPAC2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)O
InChIInChI=1S/C19H21NO4/c1-3-17(19(22)23)20-18(21)15-8-5-9-16(11-15)24-12-14-7-4-6-13(2)10-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNATNUCFYFLLSJF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.17
Rot. Bonds7

About 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid

2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid (PubChem CID 119223350) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
PubChem CID119223350
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)O
InChIInChI=1S/C19H21NO4/c1-3-17(19(22)23)20-18(21)15-8-5-9-16(11-15)24-12-14-7-4-6-13(2)10-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNATNUCFYFLLSJF-UHFFFAOYSA-N
XLogP3.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709577
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid (CID 119223350) is 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid is CCC(NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)O.
What is the InChIKey of 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
The InChIKey is NATNUCFYFLLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-17(19(22)23)20-18(21)15-8-5-9-16(11-15)24-12-14-7-4-6-13(2)10-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).