benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate

C18H26N2O3 — CID 18106493

IUPACbenzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-13-8-10-16(11-9-13)20-17(21)14(2)19-18(22)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,22)(H,20,21)/t13?,14-,16?/m0/s1
InChIKeyZQBFUYOABMHBQJ-BBBYJDLNSA-N
MW318.42 g/mol
LogP3.00
Rot. Bonds5

About benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 18106493) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID18106493
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebenzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-13-8-10-16(11-9-13)20-17(21)14(2)19-18(22)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,22)(H,20,21)/t13?,14-,16?/m0/s1
InChIKeyZQBFUYOABMHBQJ-BBBYJDLNSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate (CID 18106493) is benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate is CC1CCC(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is ZQBFUYOABMHBQJ-BBBYJDLNSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-8-10-16(11-9-13)20-17(21)14(2)19-18(22)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,22)(H,20,21)/t13?,14-,16?/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 18106493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).