benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate

C18H19NO3 — CID 10236470

IUPACbenzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
SMILESCC(CNC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(17(20)16-10-6-3-7-11-16)12-19-18(21)22-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)
InChIKeyVRWUBABYHUYIQS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.43
Rot. Bonds6

About benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate

benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate (PubChem CID 10236470) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
PubChem CID10236470
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
SMILESCC(CNC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(17(20)16-10-6-3-7-11-16)12-19-18(21)22-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)
InChIKeyVRWUBABYHUYIQS-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate
CID 101184256
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2S)-2-methyl-3-(methylamino)-3-sulfanylidenepropyl]carbamate
CID 118167903
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
ethyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130151248
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate?
The IUPAC name of benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate (CID 10236470) is benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate?
The canonical SMILES for benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate is CC(CNC(=O)OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate?
The InChIKey is VRWUBABYHUYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(17(20)16-10-6-3-7-11-16)12-19-18(21)22-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21).
What are the key properties of benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate?
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate is sourced from PubChem (CID 10236470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).