3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid

C19H21NO3 — CID 28760251

IUPAC3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
SMILESCC(C)c1ccc(NC(=O)c2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)15-8-10-17(11-9-15)20-19(23)16-6-3-14(4-7-16)5-12-18(21)22/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWCLNQXAVSUOABC-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.08
Rot. Bonds6

About 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid

3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid (PubChem CID 28760251) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
PubChem CID28760251
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
SMILESCC(C)c1ccc(NC(=O)c2ccc(CCC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)15-8-10-17(11-9-15)20-19(23)16-6-3-14(4-7-16)5-12-18(21)22/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWCLNQXAVSUOABC-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
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4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
CID 71552206
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid (CID 28760251) is 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid is CC(C)c1ccc(NC(=O)c2ccc(CCC(=O)O)cc2)cc1.
What is the InChIKey of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid?
The InChIKey is WCLNQXAVSUOABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)15-8-10-17(11-9-15)20-19(23)16-6-3-14(4-7-16)5-12-18(21)22/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid?
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid is sourced from PubChem (CID 28760251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).