2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide

C19H23ClN2O3 — CID 51243795

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)NC(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-12(14-6-5-7-15(20)10-14)21-13(2)19(23)22-16-8-9-17(24-3)18(11-16)25-4/h5-13,21H,1-4H3,(H,22,23)
InChIKeyDEQBUWPGWGXNGV-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.03
Rot. Bonds7

About 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide

2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 51243795) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID51243795
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)NC(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-12(14-6-5-7-15(20)10-14)21-13(2)19(23)22-16-8-9-17(24-3)18(11-16)25-4/h5-13,21H,1-4H3,(H,22,23)
InChIKeyDEQBUWPGWGXNGV-UHFFFAOYSA-N
XLogP4.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
CID 9445871
2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 112810915
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
CID 46667108
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
(2R)-N-(3-acetylphenyl)-2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanamide
CID 9001274
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51243791
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide (CID 51243795) is 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)NC(C)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is DEQBUWPGWGXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-12(14-6-5-7-15(20)10-14)21-13(2)19(23)22-16-8-9-17(24-3)18(11-16)25-4/h5-13,21H,1-4H3,(H,22,23).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide?
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 362.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 51243795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).