2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid

C18H19NO3 — CID 3606549

IUPAC2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid
SMILESCC(CCc1ccccc1)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H19NO3/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18(21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyZQANTKVCRZXSJX-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid

2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid (PubChem CID 3606549) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid
PubChem CID3606549
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid
SMILESCC(CCc1ccccc1)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H19NO3/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18(21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyZQANTKVCRZXSJX-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 506064
2-[(Hydroxymethyl)carbamoyl]benzoic acid
CID 23820659
N-Carboxymethyl-N-cyclopentyl-phthalamic acid
CID 44340905
3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-(benzhydrylcarbamoyl)cyclohexane-1-carboxylic Acid
CID 4314943
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic Acid
CID 3616161
N-isopropylterephthalamic acid
CID 69903
benzoic acid, 2-((octadecylamino)carbonyl)-, monosodium salt
CID 23662562
2-{[(Methylsulfinyl)methyl]carbamoyl}benzoic acid
CID 138394773
PaAMOM
CID 139596581
2-(Methylsulfanylmethylcarbamoyl)benzoic acid
CID 139597069

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid (CID 3606549) is 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid is CC(CCc1ccccc1)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid?
The InChIKey is ZQANTKVCRZXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18(21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid?
2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutan-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 3606549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).