benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate

C18H26N2O3 — CID 39958646

IUPACbenzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H26N2O3/c1-14(17(21)20-16-11-7-2-3-8-12-16)19-18(22)23-13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyKBXSDJBDHYQPCC-CQSZACIVSA-N
MW318.42 g/mol
LogP3.14
Rot. Bonds5

About benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate

benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 39958646) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
PubChem CID39958646
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebenzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H26N2O3/c1-14(17(21)20-16-11-7-2-3-8-12-16)19-18(22)23-13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyKBXSDJBDHYQPCC-CQSZACIVSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
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-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate (CID 39958646) is benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is KBXSDJBDHYQPCC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(17(21)20-16-11-7-2-3-8-12-16)19-18(22)23-13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 39958646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).