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

C19H21NO4 — CID 119220727

IUPAC3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
SMILESCc1cccc(COc2cccc(C(=O)NC(C)CC(=O)O)c2)c1
InChIInChI=1S/C19H21NO4/c1-13-5-3-6-15(9-13)12-24-17-8-4-7-16(11-17)19(23)20-14(2)10-18(21)22/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMFSYTJRAWTWLPX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.17
Rot. Bonds7

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

3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid (PubChem CID 119220727) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
PubChem CID119220727
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
SMILESCc1cccc(COc2cccc(C(=O)NC(C)CC(=O)O)c2)c1
InChIInChI=1S/C19H21NO4/c1-13-5-3-6-15(9-13)12-24-17-8-4-7-16(11-17)19(23)20-14(2)10-18(21)22/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMFSYTJRAWTWLPX-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

2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709577
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
The IUPAC name of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid (CID 119220727) is 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
The canonical SMILES for 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid is Cc1cccc(COc2cccc(C(=O)NC(C)CC(=O)O)c2)c1.
What is the InChIKey of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
The InChIKey is MFSYTJRAWTWLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-5-3-6-15(9-13)12-24-17-8-4-7-16(11-17)19(23)20-14(2)10-18(21)22/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid?
3-[[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 3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119220727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).