3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid

C19H21NO4 — CID 119165643

IUPAC3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
SMILESCCCOc1cccc(C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-2-11-24-16-10-6-9-15(13-16)18(21)20-17(19(22)23)12-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyAPBWWVWJXIBIKC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.90
Rot. Bonds8

About 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid

3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid (PubChem CID 119165643) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
PubChem CID119165643
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
SMILESCCCOc1cccc(C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-2-11-24-16-10-6-9-15(13-16)18(21)20-17(19(22)23)12-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyAPBWWVWJXIBIKC-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
4-methylsulfanyl-2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62032424
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-3-phenylpropanoic acid
CID 119367312
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
2-[[3-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(3-phenoxyphenyl)propanoic acid
CID 66912967
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
CID 119165878
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-propoxybenzamide
CID 44530434
2-[[3-phenyl-2-[[3-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]propanoyl]amino]propanoic acid
CID 77473540

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid (CID 119165643) is 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid is CCCOc1cccc(C(=O)NC(Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid?
The InChIKey is APBWWVWJXIBIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-11-24-16-10-6-9-15(13-16)18(21)20-17(19(22)23)12-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid?
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 119165643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).