N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride

C21H33ClN2O3 — CID 20994940

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1.Cl
InChIInChI=1S/C21H32N2O3.ClH/c1-2-14-26-19-9-5-4-8-18(19)20(24)22-17-21(10-6-3-7-11-21)23-12-15-25-16-13-23;/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,22,24);1H
InChIKeyKCVYZWJEPHQPFE-UHFFFAOYSA-N
MW396.96 g/mol
LogP3.66
Rot. Bonds7

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride (PubChem CID 20994940) has the molecular formula C21H33ClN2O3 and a molecular weight of 396.96 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
PubChem CID20994940
Molecular FormulaC21H33ClN2O3
Molecular Weight396.96 g/mol
Exact Mass396.22
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1.Cl
InChIInChI=1S/C21H32N2O3.ClH/c1-2-14-26-19-9-5-4-8-18(19)20(24)22-17-21(10-6-3-7-11-21)23-12-15-25-16-13-23;/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,22,24);1H
InChIKeyKCVYZWJEPHQPFE-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 56672420
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-ethoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]naphthalene-1-carboxamide
CID 139028044
2-propoxy-N-propylbenzamide
CID 58831728
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride (CID 20994940) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride is CCCOc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1.Cl.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride?
The InChIKey is KCVYZWJEPHQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3.ClH/c1-2-14-26-19-9-5-4-8-18(19)20(24)22-17-21(10-6-3-7-11-21)23-12-15-25-16-13-23;/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,22,24);1H.
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride is sourced from PubChem (CID 20994940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).