benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate

C19H28N2O4 — CID 124845856

IUPACbenzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
SMILESC[C@@](O)(CNC(=O)CNC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-19(24,16-10-6-3-7-11-16)14-21-17(22)12-20-18(23)25-13-15-8-4-2-5-9-15/h2,4-5,8-9,16,24H,3,6-7,10-14H2,1H3,(H,20,23)(H,21,22)/t19-/m1/s1
InChIKeyHVKVKACNEIXNSQ-LJQANCHMSA-N
MW348.44 g/mol
LogP2.36
Rot. Bonds7

About benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate (PubChem CID 124845856) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
PubChem CID124845856
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
SMILESC[C@@](O)(CNC(=O)CNC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-19(24,16-10-6-3-7-11-16)14-21-17(22)12-20-18(23)25-13-15-8-4-2-5-9-15/h2,4-5,8-9,16,24H,3,6-7,10-14H2,1H3,(H,20,23)(H,21,22)/t19-/m1/s1
InChIKeyHVKVKACNEIXNSQ-LJQANCHMSA-N
XLogP2.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-[(2,6-dihydroxycyclohexyl)amino]-2-oxoethyl]carbamate
CID 13338812
benzyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohexyl]carbamate
CID 68827567
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate
CID 90204036
benzyl N-[2-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 138750839
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetate
CID 126010381
benzyl N-(5,5-dimethyl-2-oxohexyl)carbamate
CID 165468544
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate (CID 124845856) is benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate is C[C@@](O)(CNC(=O)CNC(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate?
The InChIKey is HVKVKACNEIXNSQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(24,16-10-6-3-7-11-16)14-21-17(22)12-20-18(23)25-13-15-8-4-2-5-9-15/h2,4-5,8-9,16,24H,3,6-7,10-14H2,1H3,(H,20,23)(H,21,22)/t19-/m1/s1.
What are the key properties of benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 124845856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).