N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide

C20H24ClNO4 — CID 86970892

IUPACN-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)Nc1cccc(Cl)c1OC(C)C
InChIInChI=1S/C20H24ClNO4/c1-13(2)26-20-15(21)6-5-7-16(20)22-19(23)10-11-25-17-9-8-14(3)12-18(17)24-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,23)
InChIKeyZBQNAIZOPKCLIA-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.85
Rot. Bonds8

About N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide

N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide (PubChem CID 86970892) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide
PubChem CID86970892
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)Nc1cccc(Cl)c1OC(C)C
InChIInChI=1S/C20H24ClNO4/c1-13(2)26-20-15(21)6-5-7-16(20)22-19(23)10-11-25-17-9-8-14(3)12-18(17)24-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,23)
InChIKeyZBQNAIZOPKCLIA-UHFFFAOYSA-N
XLogP4.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 86897699
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide (CID 86970892) is N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide is COc1cc(C)ccc1OCCC(=O)Nc1cccc(Cl)c1OC(C)C.
What is the InChIKey of N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide?
The InChIKey is ZBQNAIZOPKCLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-13(2)26-20-15(21)6-5-7-16(20)22-19(23)10-11-25-17-9-8-14(3)12-18(17)24-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,23).
What are the key properties of N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide?
N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide has a molecular weight of 377.87 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide is sourced from PubChem (CID 86970892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).