benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate

C22H26N2O3 — CID 97267835

IUPACbenzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](C(=O)NC1CCCCC1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(23-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)24-22(26)27-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyXCASVAZGRKWSHE-HXUWFJFHSA-N
MW366.46 g/mol
LogP4.10
Rot. Bonds6

About benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate

benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate (PubChem CID 97267835) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
PubChem CID97267835
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](C(=O)NC1CCCCC1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(23-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)24-22(26)27-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyXCASVAZGRKWSHE-HXUWFJFHSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
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-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
methyl (2S)-3-methyl-2-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 134817279
benzyl N-[(2S)-6-amino-1-(cyclopentylamino)-1-oxohexan-2-yl]carbamate
CID 140895488
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate (CID 97267835) is benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate is O=C(N[C@@H](C(=O)NC1CCCCC1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is XCASVAZGRKWSHE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(23-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)24-22(26)27-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2,(H,23,25)(H,24,26)/t20-/m1/s1.
What are the key properties of benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate?
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 97267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).