3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C20H30ClN3O3 — CID 119744216

IUPAC3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CN(C(=O)c2ccc(NC(=O)C3CCCC(N)C3)cc2)CC(C)O1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-13-11-23(12-14(2)26-13)20(25)15-6-8-18(9-7-15)22-19(24)16-4-3-5-17(21)10-16;/h6-9,13-14,16-17H,3-5,10-12,21H2,1-2H3,(H,22,24);1H
InChIKeyIOPBCQXASPPMCY-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.81
Rot. Bonds3

About 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119744216) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119744216
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CN(C(=O)c2ccc(NC(=O)C3CCCC(N)C3)cc2)CC(C)O1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-13-11-23(12-14(2)26-13)20(25)15-6-8-18(9-7-15)22-19(24)16-4-3-5-17(21)10-16;/h6-9,13-14,16-17H,3-5,10-12,21H2,1-2H3,(H,22,24);1H
InChIKeyIOPBCQXASPPMCY-UHFFFAOYSA-N
XLogP2.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975409
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119744250
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119800850
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119744216) is 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CC1CN(C(=O)c2ccc(NC(=O)C3CCCC(N)C3)cc2)CC(C)O1.Cl.
What is the InChIKey of 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is IOPBCQXASPPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-13-11-23(12-14(2)26-13)20(25)15-6-8-18(9-7-15)22-19(24)16-4-3-5-17(21)10-16;/h6-9,13-14,16-17H,3-5,10-12,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119744216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).