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

C17H24N2O3 — CID 18108659

IUPACbenzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-13(16(20)19-15-10-6-3-7-11-15)18-17(21)22-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyFRXPNNABKWJRPN-ZDUSSCGKSA-N
MW304.39 g/mol
LogP2.75
Rot. Bonds5

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

benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 18108659) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
PubChem CID18108659
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-13(16(20)19-15-10-6-3-7-11-15)18-17(21)22-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyFRXPNNABKWJRPN-ZDUSSCGKSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 4116688
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate (CID 18108659) is benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is FRXPNNABKWJRPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(16(20)19-15-10-6-3-7-11-15)18-17(21)22-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.75, 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-(cyclohexylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 18108659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).