N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide

C19H22ClNO2 — CID 100541611

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-14-13-16(5-9-18(14)23-2)6-10-19(22)21-12-11-15-3-7-17(20)8-4-15/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,21,22)
InChIKeyXMLXYNNILZKWBD-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 100541611) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID100541611
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-14-13-16(5-9-18(14)23-2)6-10-19(22)21-12-11-15-3-7-17(20)8-4-15/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,21,22)
InChIKeyXMLXYNNILZKWBD-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide (CID 100541611) is N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is XMLXYNNILZKWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-13-16(5-9-18(14)23-2)6-10-19(22)21-12-11-15-3-7-17(20)8-4-15/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 331.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 100541611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).