3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide

C20H24ClNO4 — CID 112826776

IUPAC3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
SMILESCOc1cc(C)c(CN(C)C(=O)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-14-11-18(24-3)19(25-4)12-15(14)13-22(2)20(23)9-10-26-17-7-5-16(21)6-8-17/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyIUTWTRQOIKTIPK-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.09
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide

3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide (PubChem CID 112826776) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
PubChem CID112826776
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
SMILESCOc1cc(C)c(CN(C)C(=O)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-14-11-18(24-3)19(25-4)12-15(14)13-22(2)20(23)9-10-26-17-7-5-16(21)6-8-17/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyIUTWTRQOIKTIPK-UHFFFAOYSA-N
XLogP4.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 8636912
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 9084976
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
tert-butyl N-[3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9277344
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
2-(2,5-difluorophenyl)sulfanyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 9277264
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide (CID 112826776) is 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide is COc1cc(C)c(CN(C)C(=O)CCOc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide?
The InChIKey is IUTWTRQOIKTIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-14-11-18(24-3)19(25-4)12-15(14)13-22(2)20(23)9-10-26-17-7-5-16(21)6-8-17/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide?
3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide has a molecular weight of 377.87 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 112826776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).