N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide

C20H32N2O — CID 20556387

IUPACN-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(C)cc1)C1CCCCCC1N(C)C
InChIInChI=1S/C20H32N2O/c1-5-9-20(23)22(17-14-12-16(2)13-15-17)19-11-8-6-7-10-18(19)21(3)4/h12-15,18-19H,5-11H2,1-4H3
InChIKeyZHEAXHZCLYGJGN-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide

N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide (PubChem CID 20556387) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide
PubChem CID20556387
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(C)cc1)C1CCCCCC1N(C)C
InChIInChI=1S/C20H32N2O/c1-5-9-20(23)22(17-14-12-16(2)13-15-17)19-11-8-6-7-10-18(19)21(3)4/h12-15,18-19H,5-11H2,1-4H3
InChIKeyZHEAXHZCLYGJGN-UHFFFAOYSA-N
XLogP4.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide?
The IUPAC name of N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide (CID 20556387) is N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide is CCCC(=O)N(c1ccc(C)cc1)C1CCCCCC1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide?
The InChIKey is ZHEAXHZCLYGJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-9-20(23)22(17-14-12-16(2)13-15-17)19-11-8-6-7-10-18(19)21(3)4/h12-15,18-19H,5-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide?
N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide has a molecular weight of 316.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 20556387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).