3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

C19H22ClNO3 — CID 127122091

IUPAC3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-13(15-8-9-17(23-2)18(12-15)24-3)21-19(22)10-7-14-5-4-6-16(20)11-14/h4-6,8-9,11-13H,7,10H2,1-3H3,(H,21,22)
InChIKeyBTSNQJCDDQEQNG-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.17
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 127122091) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID127122091
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-13(15-8-9-17(23-2)18(12-15)24-3)21-19(22)10-7-14-5-4-6-16(20)11-14/h4-6,8-9,11-13H,7,10H2,1-3H3,(H,21,22)
InChIKeyBTSNQJCDDQEQNG-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
3-(3-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 51277981
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide
CID 71840874
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 127122091) is 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)CCc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is BTSNQJCDDQEQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(15-8-9-17(23-2)18(12-15)24-3)21-19(22)10-7-14-5-4-6-16(20)11-14/h4-6,8-9,11-13H,7,10H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 127122091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).