benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate

C19H21NO3 — CID 11034286

IUPACbenzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate
SMILESCCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-18(21)17(13-15-9-5-3-6-10-15)20-19(22)23-14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyYWDDRKWUYFWHJV-KRWDZBQOSA-N
MW311.38 g/mol
LogP3.50
Rot. Bonds7

About benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate

benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate (PubChem CID 11034286) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate
PubChem CID11034286
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate
SMILESCCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-18(21)17(13-15-9-5-3-6-10-15)20-19(22)23-14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyYWDDRKWUYFWHJV-KRWDZBQOSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate (CID 11034286) is benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate is CCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate?
The InChIKey is YWDDRKWUYFWHJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-18(21)17(13-15-9-5-3-6-10-15)20-19(22)23-14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate?
benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-oxo-1-phenylpentan-2-yl]carbamate is sourced from PubChem (CID 11034286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).