benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate

C23H37NO4 — CID 57124471

IUPACbenzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
SMILESCC(C)[C@H](CO)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H37NO4/c1-17(2)20(15-25)14-22(26)21(13-18-9-5-3-6-10-18)24-23(27)28-16-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-22,25-26H,3,5-6,9-10,13-16H2,1-2H3,(H,24,27)/t20-,21-,22-/m0/s1
InChIKeyIKOWGHTYYGMUMD-FKBYEOEOSA-N
MW391.55 g/mol
LogP4.27
Rot. Bonds10

About benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate

benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate (PubChem CID 57124471) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
PubChem CID57124471
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Namebenzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
SMILESCC(C)[C@H](CO)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H37NO4/c1-17(2)20(15-25)14-22(26)21(13-18-9-5-3-6-10-18)24-23(27)28-16-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-22,25-26H,3,5-6,9-10,13-16H2,1-2H3,(H,24,27)/t20-,21-,22-/m0/s1
InChIKeyIKOWGHTYYGMUMD-FKBYEOEOSA-N
XLogP4.27
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
methyl 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 67247253
benzyl N-[(2S,3S)-1-cyclohexyl-4-[(4R)-5,5-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutan-2-yl]carbamate
CID 67800537
4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
CID 69295761
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083
benzyl N-[1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(3-methylbutanoylamino)pentan-2-yl]carbamate
CID 14720130
benzyl N-[(3S)-1-[cyclohexyl(methyl)amino]-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 22879556
benzyl 3-[[(2R,4S,5S)-6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)hexanoyl]amino]propanoate
CID 15708309
benzyl N-[5-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-1-cyclohexyl-4,4-difluoro-3-hydroxypentan-2-yl]carbamate
CID 14720124
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
CID 10383854

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate (CID 57124471) is benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate is CC(C)[C@H](CO)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate?
The InChIKey is IKOWGHTYYGMUMD-FKBYEOEOSA-N. The full InChI is InChI=1S/C23H37NO4/c1-17(2)20(15-25)14-22(26)21(13-18-9-5-3-6-10-18)24-23(27)28-16-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-22,25-26H,3,5-6,9-10,13-16H2,1-2H3,(H,24,27)/t20-,21-,22-/m0/s1.
What are the key properties of benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate?
benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate has a molecular weight of 391.55 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate is sourced from PubChem (CID 57124471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).