propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate

C13H17NO3 — CID 139904871

IUPACpropan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-9(2)17-13(16)14-10(3)12(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)
InChIKeyHSAORRAGYJCVQO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds4

About propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate

propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate (PubChem CID 139904871) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
PubChem CID139904871
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namepropan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-9(2)17-13(16)14-10(3)12(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)
InChIKeyHSAORRAGYJCVQO-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 177395488
(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetic acid
CID 104897066
2-anilino-1-phenylpropan-1-one
CID 577481
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
N-[(2R)-1-oxo-1-phenylpropan-2-yl]formamide
CID 130699282
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 101373667
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
CID 139185945
N-hydroxy-2-methyl-3-oxo-3-phenylpropanamide
CID 3725961

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate (CID 139904871) is propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate is CC(C)OC(=O)NC(C)C(=O)c1ccccc1.
What is the InChIKey of propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The InChIKey is HSAORRAGYJCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)17-13(16)14-10(3)12(15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16).
What are the key properties of propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate?
propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 139904871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).