2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide

C18H27ClN2O — CID 4883960

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-14(18(22)20-12-15-7-4-3-5-8-15)21(2)13-16-9-6-10-17(19)11-16/h6,9-11,14-15H,3-5,7-8,12-13H2,1-2H3,(H,20,22)
InChIKeyVQKSOSTYYGHVTC-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.86
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide (PubChem CID 4883960) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
PubChem CID4883960
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-14(18(22)20-12-15-7-4-3-5-8-15)21(2)13-16-9-6-10-17(19)11-16/h6,9-11,14-15H,3-5,7-8,12-13H2,1-2H3,(H,20,22)
InChIKeyVQKSOSTYYGHVTC-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide (CID 4883960) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide is CC(C(=O)NCC1CCCCC1)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The InChIKey is VQKSOSTYYGHVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14(18(22)20-12-15-7-4-3-5-8-15)21(2)13-16-9-6-10-17(19)11-16/h6,9-11,14-15H,3-5,7-8,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide has a molecular weight of 322.88 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 4883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).