3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide

C18H21ClN2O2 — CID 10980515

IUPAC3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
SMILESCOc1ccccc1NC(CC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)18(22)12-16(13-8-10-14(19)11-9-13)20-15-6-4-5-7-17(15)23-3/h4-11,16,20H,12H2,1-3H3
InChIKeyCXEZNBNCWWEORC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.98
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide

3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide (PubChem CID 10980515) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
PubChem CID10980515
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
SMILESCOc1ccccc1NC(CC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)18(22)12-16(13-8-10-14(19)11-9-13)20-15-6-4-5-7-17(15)23-3/h4-11,16,20H,12H2,1-3H3
InChIKeyCXEZNBNCWWEORC-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 42937533
methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 15416909
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607795
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
CID 114454325
(3S)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100783355

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide (CID 10980515) is 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide is COc1ccccc1NC(CC(=O)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide?
The InChIKey is CXEZNBNCWWEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(2)18(22)12-16(13-8-10-14(19)11-9-13)20-15-6-4-5-7-17(15)23-3/h4-11,16,20H,12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide?
3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide has a molecular weight of 332.83 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 10980515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).