N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide

C19H23ClN2O3 — CID 109027954

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3/c1-24-16-7-8-18(25-2)17(13-16)21-12-10-19(23)22-11-9-14-3-5-15(20)6-4-14/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyUIRUOWWBUCANID-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.52
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide (PubChem CID 109027954) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
PubChem CID109027954
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3/c1-24-16-7-8-18(25-2)17(13-16)21-12-10-19(23)22-11-9-14-3-5-15(20)6-4-14/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyUIRUOWWBUCANID-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119549697
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide (CID 109027954) is N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide is COc1ccc(OC)c(NCCC(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide?
The InChIKey is UIRUOWWBUCANID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-16-7-8-18(25-2)17(13-16)21-12-10-19(23)22-11-9-14-3-5-15(20)6-4-14/h3-8,13,21H,9-12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide is sourced from PubChem (CID 109027954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).