3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

C19H22ClNO4 — CID 31948362

IUPAC3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO4/c1-23-16-11-18(25-3)17(24-2)10-14(16)12-21-19(22)9-6-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)
InChIKeyJWJXQYGLXQRTOM-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.61
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 31948362) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID31948362
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO4/c1-23-16-11-18(25-3)17(24-2)10-14(16)12-21-19(22)9-6-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)
InChIKeyJWJXQYGLXQRTOM-UHFFFAOYSA-N
XLogP3.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121490
3-[(4-chlorophenyl)sulfonylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24548654
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 2163779
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 9018666
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide (CID 31948362) is 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(OC)c(OC)cc1CNC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is JWJXQYGLXQRTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-23-16-11-18(25-3)17(24-2)10-14(16)12-21-19(22)9-6-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide?
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 363.84 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 31948362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).