N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

C18H20ClNO3 — CID 110438694

IUPACN-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)20-14-8-6-13(19)7-9-14/h5-11H,1-4H3,(H,20,21)
InChIKeyAHCBEZMLFOLKGW-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.27
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 110438694) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
PubChem CID110438694
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)20-14-8-6-13(19)7-9-14/h5-11H,1-4H3,(H,20,21)
InChIKeyAHCBEZMLFOLKGW-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438711
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
CID 110451563
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
2-(3,4-dimethoxyphenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 110439552
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (CID 110438694) is N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is AHCBEZMLFOLKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)20-14-8-6-13(19)7-9-14/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110438694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).