(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid

C14H19NO3 — CID 69102432

IUPAC(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)12(15-13(17)18)11(16)9-10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,17,18)
InChIKeyBGDAJRHPBVSEBA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.48
Rot. Bonds4

About (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid

(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid (PubChem CID 69102432) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid
PubChem CID69102432
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)12(15-13(17)18)11(16)9-10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,17,18)
InChIKeyBGDAJRHPBVSEBA-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-oxo-4-phenylbutan-2-yl)carbamic acid
CID 67239937
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2-phenyl-N-(2,2,5-trimethyl-4-oxohex-5-en-3-yl)acetamide
CID 145466046
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
3-amino-4-tert-butylsulfanyl-1-phenylbutan-2-one
CID 71046943
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
[(2S)-1-[[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68792623
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468
(2R)-3,3-dimethyl-2-(2-phenylethylcarbamoylamino)butanoic acid
CID 103927529
(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
CID 53364150
2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
CID 61162163

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid?
The IUPAC name of (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid (CID 69102432) is (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid.
What is the SMILES notation for (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid?
The canonical SMILES for (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid is CC(C)(C)C(NC(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid?
The InChIKey is BGDAJRHPBVSEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)12(15-13(17)18)11(16)9-10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,17,18).
What are the key properties of (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid?
(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid is sourced from PubChem (CID 69102432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).