4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide

C18H26N2O3 — CID 58504652

IUPAC4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H26N2O3/c21-16-9-5-4-8-15(16)19-18(22)17-13-20(10-11-23-17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,19,22)/t15-,16-,17?/m1/s1
InChIKeyYFZRFYARDFKKLW-YNPPLXCJSA-N
MW318.42 g/mol
LogP1.31
Rot. Bonds4

About 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide

4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide (PubChem CID 58504652) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
PubChem CID58504652
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H26N2O3/c21-16-9-5-4-8-15(16)19-18(22)17-13-20(10-11-23-17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,19,22)/t15-,16-,17?/m1/s1
InChIKeyYFZRFYARDFKKLW-YNPPLXCJSA-N
XLogP1.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124732140
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190
(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395506

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide (CID 58504652) is 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide?
The InChIKey is YFZRFYARDFKKLW-YNPPLXCJSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-16-9-5-4-8-15(16)19-18(22)17-13-20(10-11-23-17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,19,22)/t15-,16-,17?/m1/s1.
What are the key properties of 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide?
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide is sourced from PubChem (CID 58504652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).