2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide

C18H24ClN3O — CID 18078808

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C18H24ClN3O/c1-14(22(2)12-15-8-4-5-9-16(15)19)17(23)21-18(13-20)10-6-3-7-11-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,21,23)
InChIKeyDJEKMNSQRRTFON-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.50
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide (PubChem CID 18078808) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
PubChem CID18078808
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C18H24ClN3O/c1-14(22(2)12-15-8-4-5-9-16(15)19)17(23)21-18(13-20)10-6-3-7-11-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,21,23)
InChIKeyDJEKMNSQRRTFON-UHFFFAOYSA-N
XLogP3.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide (CID 18078808) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide is CC(C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide?
The InChIKey is DJEKMNSQRRTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-14(22(2)12-15-8-4-5-9-16(15)19)17(23)21-18(13-20)10-6-3-7-11-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide has a molecular weight of 333.86 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide is sourced from PubChem (CID 18078808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).