(4-phenylphenyl)-propan-2-ylcarbamic acid

C16H17NO2 — CID 118254837

IUPAC(4-phenylphenyl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(2)17(16(18)19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)
InChIKeyLWHZUJZHHCJLFK-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.25
Rot. Bonds3

About (4-phenylphenyl)-propan-2-ylcarbamic acid

(4-phenylphenyl)-propan-2-ylcarbamic acid (PubChem CID 118254837) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-phenylphenyl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(4-phenylphenyl)-propan-2-ylcarbamic acid
PubChem CID118254837
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4-phenylphenyl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(2)17(16(18)19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)
InChIKeyLWHZUJZHHCJLFK-UHFFFAOYSA-N
XLogP4.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
2-[carboxy(propan-2-yl)amino]benzoic acid
CID 69006407
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
CID 175422167
(2S)-2-[[(2S)-1-(N-[(1S)-1-carboxyethyl]-4-phenylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoic acid
CID 67649110
N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 11042850
1,3-diphenylpropan-2-yl(phenyl)carbamic acid
CID 11051156
N-chloroaniline;(3-chlorophenyl)-propan-2-ylcarbamic acid
CID 175962918
N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
CID 101475849
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-propan-2-ylcarbamic acid?
The IUPAC name of (4-phenylphenyl)-propan-2-ylcarbamic acid (CID 118254837) is (4-phenylphenyl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (4-phenylphenyl)-propan-2-ylcarbamic acid?
The canonical SMILES for (4-phenylphenyl)-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)-propan-2-ylcarbamic acid?
The InChIKey is LWHZUJZHHCJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(2)17(16(18)19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19).
What are the key properties of (4-phenylphenyl)-propan-2-ylcarbamic acid?
(4-phenylphenyl)-propan-2-ylcarbamic acid has a molecular weight of 255.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 118254837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).