benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate

C18H19NO3 — CID 101373667

IUPACbenzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
SMILESCc1cccc(C(=O)[C@H](C)NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13-7-6-10-16(11-13)17(20)14(2)19-18(21)22-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyUCGSUDIIQRYCSS-AWEZNQCLSA-N
MW297.35 g/mol
LogP3.49
Rot. Bonds5

About benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 101373667) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
PubChem CID101373667
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
SMILESCc1cccc(C(=O)[C@H](C)NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13-7-6-10-16(11-13)17(20)14(2)19-18(21)22-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyUCGSUDIIQRYCSS-AWEZNQCLSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(3-bromophenyl)-1-oxopropan-2-yl]carbamate
CID 139886120
2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967
benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
CID 156757915
phenylmethoxycarbonylamino 3-methylbenzoate
CID 174511034
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
(2R,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 122408174

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate (CID 101373667) is benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate is Cc1cccc(C(=O)[C@H](C)NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is UCGSUDIIQRYCSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-6-10-16(11-13)17(20)14(2)19-18(21)22-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 101373667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).