4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C21H33N3O3 — CID 60503006

IUPAC4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCCCOC2CCCCC2)cc1
InChIInChI=1S/C21H33N3O3/c1-22-21(26)18-11-9-17(10-12-18)15-24(2)16-20(25)23-13-6-14-27-19-7-4-3-5-8-19/h9-12,19H,3-8,13-16H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXGFGKGYNWRUHSS-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.33
Rot. Bonds10

About 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 60503006) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID60503006
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCCCOC2CCCCC2)cc1
InChIInChI=1S/C21H33N3O3/c1-22-21(26)18-11-9-17(10-12-18)15-24(2)16-20(25)23-13-6-14-27-19-7-4-3-5-8-19/h9-12,19H,3-8,13-16H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXGFGKGYNWRUHSS-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 87016434
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
4-[[[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125724
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 60503006) is 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)NCCCOC2CCCCC2)cc1.
What is the InChIKey of 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is XGFGKGYNWRUHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-22-21(26)18-11-9-17(10-12-18)15-24(2)16-20(25)23-13-6-14-27-19-7-4-3-5-8-19/h9-12,19H,3-8,13-16H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 375.51 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 60503006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).