2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C24H36N4O2 — CID 55739550

IUPAC2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCCCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)Cc1ccc(C#N)cc1
InChIInChI=1S/C24H36N4O2/c1-2-12-27(18-22-8-6-21(17-25)7-9-22)19-23(29)26-20-24(10-4-3-5-11-24)28-13-15-30-16-14-28/h6-9H,2-5,10-16,18-20H2,1H3,(H,26,29)
InChIKeySBFFMIYDAYQCDR-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.92
Rot. Bonds9

About 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 55739550) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID55739550
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCCCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)Cc1ccc(C#N)cc1
InChIInChI=1S/C24H36N4O2/c1-2-12-27(18-22-8-6-21(17-25)7-9-22)19-23(29)26-20-24(10-4-3-5-11-24)28-13-15-30-16-14-28/h6-9H,2-5,10-16,18-20H2,1H3,(H,26,29)
InChIKeySBFFMIYDAYQCDR-UHFFFAOYSA-N
XLogP2.92
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenyl)methyl-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18087679
2-[butyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]amino]acetamide
CID 55700066
1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 86999564
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 51223648
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8785968
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55409899
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2426774
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328580
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 55739550) is 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is CCCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is SBFFMIYDAYQCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-2-12-27(18-22-8-6-21(17-25)7-9-22)19-23(29)26-20-24(10-4-3-5-11-24)28-13-15-30-16-14-28/h6-9H,2-5,10-16,18-20H2,1H3,(H,26,29).
What are the key properties of 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 55739550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).