4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 122024428

IUPAC4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCOCC2Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O4/c22-18(23)15-6-8-16(9-7-15)20-19(24)21-10-11-25-13-17(21)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,20,24)(H,22,23)
InChIKeyDXBKSDYLZRYSLG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.28
Rot. Bonds4

About 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024428) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024428
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCOCC2Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O4/c22-18(23)15-6-8-16(9-7-15)20-19(24)21-10-11-25-13-17(21)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,20,24)(H,22,23)
InChIKeyDXBKSDYLZRYSLG-UHFFFAOYSA-N
XLogP2.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024519
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023964
1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
CID 123193193
N-(4-hydroxycyclohexyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 71855344
(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95310188
[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
CID 164638802
4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024406

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024428) is 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCOCC2Cc2ccccc2)CC1.
What is the InChIKey of 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DXBKSDYLZRYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-18(23)15-6-8-16(9-7-15)20-19(24)21-10-11-25-13-17(21)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,20,24)(H,22,23).
What are the key properties of 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).