N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide

C20H24ClNO2 — CID 55772389

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C20H24ClNO2/c1-15-7-9-16(10-8-15)5-4-6-20(23)22(2)14-17-13-18(21)11-12-19(17)24-3/h7-13H,4-6,14H2,1-3H3
InChIKeyLCKBQMCKPIMVOY-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.64
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide (PubChem CID 55772389) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
PubChem CID55772389
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C20H24ClNO2/c1-15-7-9-16(10-8-15)5-4-6-20(23)22(2)14-17-13-18(21)11-12-19(17)24-3/h7-13H,4-6,14H2,1-3H3
InChIKeyLCKBQMCKPIMVOY-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 33164457
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9469734
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 32761132
N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
CID 40686377

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide (CID 55772389) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCCc1ccc(C)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide?
The InChIKey is LCKBQMCKPIMVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-15-7-9-16(10-8-15)5-4-6-20(23)22(2)14-17-13-18(21)11-12-19(17)24-3/h7-13H,4-6,14H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide has a molecular weight of 345.87 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 55772389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).