benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate

C17H24N2O4 — CID 170615975

IUPACbenzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)N[C@@H]1CCCCC1O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-19(17(22)23-12-13-7-3-2-4-8-13)11-16(21)18-14-9-5-6-10-15(14)20/h2-4,7-8,14-15,20H,5-6,9-12H2,1H3,(H,18,21)/t14-,15?/m1/s1
InChIKeyXJZQJKRJLHXBIY-GICMACPYSA-N
MW320.39 g/mol
LogP1.67
Rot. Bonds5

About benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate

benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 170615975) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
PubChem CID170615975
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebenzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)N[C@@H]1CCCCC1O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-19(17(22)23-12-13-7-3-2-4-8-13)11-16(21)18-14-9-5-6-10-15(14)20/h2-4,7-8,14-15,20H,5-6,9-12H2,1H3,(H,18,21)/t14-,15?/m1/s1
InChIKeyXJZQJKRJLHXBIY-GICMACPYSA-N
XLogP1.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 104957500
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
CID 126191202
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
CID 77080730
benzyl N-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 44724470
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid
CID 138694680
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl 3-[(2-hydroxycyclohexyl)amino]-2-methylpropanoate
CID 106484006

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate (CID 170615975) is benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate is CN(CC(=O)N[C@@H]1CCCCC1O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is XJZQJKRJLHXBIY-GICMACPYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19(17(22)23-12-13-7-3-2-4-8-13)11-16(21)18-14-9-5-6-10-15(14)20/h2-4,7-8,14-15,20H,5-6,9-12H2,1H3,(H,18,21)/t14-,15?/m1/s1.
What are the key properties of benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate?
benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 320.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 170615975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).