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

C19H22ClNO2 — CID 110298815

IUPAC3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1CCNC(=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(13-15-7-9-17(20)10-8-15)19(22)21-12-11-16-5-3-4-6-18(16)23-2/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeySJXGXQJLUVFQQS-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.89
Rot. Bonds7

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

3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 110298815) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID110298815
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1CCNC(=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(13-15-7-9-17(20)10-8-15)19(22)21-12-11-16-5-3-4-6-18(16)23-2/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeySJXGXQJLUVFQQS-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110301101
2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 110296691
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide (CID 110298815) is 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide is COc1ccccc1CCNC(=O)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is SJXGXQJLUVFQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14(13-15-7-9-17(20)10-8-15)19(22)21-12-11-16-5-3-4-6-18(16)23-2/h3-10,14H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 331.84 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110298815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).