3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide

C20H24ClNO3 — CID 110298822

IUPAC3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-14(12-15-4-7-17(21)8-5-15)20(23)22-11-10-16-6-9-18(24-2)19(13-16)25-3/h4-9,13-14H,10-12H2,1-3H3,(H,22,23)
InChIKeyMSHRMOTZBGIKKK-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.89
Rot. Bonds8

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

3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 110298822) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID110298822
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-14(12-15-4-7-17(21)8-5-15)20(23)22-11-10-16-6-9-18(24-2)19(13-16)25-3/h4-9,13-14H,10-12H2,1-3H3,(H,22,23)
InChIKeyMSHRMOTZBGIKKK-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 144669432
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
(2S)-2-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methylbutanamide
CID 9482424
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 99647029
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide (CID 110298822) is 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide is COc1ccc(CCNC(=O)C(C)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is MSHRMOTZBGIKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-14(12-15-4-7-17(21)8-5-15)20(23)22-11-10-16-6-9-18(24-2)19(13-16)25-3/h4-9,13-14H,10-12H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide?
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 361.87 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110298822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).