4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C22H41ClN2O2 — CID 20995034

IUPAC4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCCCC1CCC(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1.Cl
InChIInChI=1S/C22H40N2O2.ClH/c1-2-3-7-19-8-10-20(11-9-19)21(25)23-18-22(12-5-4-6-13-22)24-14-16-26-17-15-24;/h19-20H,2-18H2,1H3,(H,23,25);1H
InChIKeyHYINZTMDXAORDH-UHFFFAOYSA-N
MW401.04 g/mol
LogP4.56
Rot. Bonds7

About 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride

4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 20995034) has the molecular formula C22H41ClN2O2 and a molecular weight of 401.04 g/mol. Its IUPAC name is 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID20995034
Molecular FormulaC22H41ClN2O2
Molecular Weight401.04 g/mol
Exact Mass400.29
IUPAC Name4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCCCC1CCC(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1.Cl
InChIInChI=1S/C22H40N2O2.ClH/c1-2-3-7-19-8-10-20(11-9-19)21(25)23-18-22(12-5-4-6-13-22)24-14-16-26-17-15-24;/h19-20H,2-18H2,1H3,(H,23,25);1H
InChIKeyHYINZTMDXAORDH-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.04
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 47987115
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
2-[butyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]amino]acetamide
CID 55700066
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 125150968
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122565189
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119268173

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 20995034) is 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride is CCCCC1CCC(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1.Cl.
What is the InChIKey of 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HYINZTMDXAORDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2.ClH/c1-2-3-7-19-8-10-20(11-9-19)21(25)23-18-22(12-5-4-6-13-22)24-14-16-26-17-15-24;/h19-20H,2-18H2,1H3,(H,23,25);1H.
What are the key properties of 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 401.04 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 20995034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).