4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide

C21H26ClNO3 — CID 87000731

IUPAC4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
SMILESCOc1cc(C)c(CN(C)C(=O)CCCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H26ClNO3/c1-15-12-19(25-3)20(26-4)13-17(15)14-23(2)21(24)7-5-6-16-8-10-18(22)11-9-16/h8-13H,5-7,14H2,1-4H3
InChIKeyBTQYVUWUXFDACT-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.65
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide

4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide (PubChem CID 87000731) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
PubChem CID87000731
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
SMILESCOc1cc(C)c(CN(C)C(=O)CCCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H26ClNO3/c1-15-12-19(25-3)20(26-4)13-17(15)14-23(2)21(24)7-5-6-16-8-10-18(22)11-9-16/h8-13H,5-7,14H2,1-4H3
InChIKeyBTQYVUWUXFDACT-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 9084976
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 8636912
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide (CID 87000731) is 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide is COc1cc(C)c(CN(C)C(=O)CCCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide?
The InChIKey is BTQYVUWUXFDACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-15-12-19(25-3)20(26-4)13-17(15)14-23(2)21(24)7-5-6-16-8-10-18(22)11-9-16/h8-13H,5-7,14H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide?
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide has a molecular weight of 375.90 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 87000731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).