N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide

C18H20ClNO3 — CID 17034684

IUPACN-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCOc1ccc(Cl)c(NC(=O)CCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20ClNO3/c1-12-8-13(2)10-15(9-12)23-7-6-18(21)20-17-11-14(22-3)4-5-16(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyKGUXLKQODUTUFG-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.37
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide

N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 17034684) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
PubChem CID17034684
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCOc1ccc(Cl)c(NC(=O)CCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20ClNO3/c1-12-8-13(2)10-15(9-12)23-7-6-18(21)20-17-11-14(22-3)4-5-16(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyKGUXLKQODUTUFG-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
CID 108802815
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 38700799
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide (CID 17034684) is N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide is COc1ccc(Cl)c(NC(=O)CCOc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is KGUXLKQODUTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-8-13(2)10-15(9-12)23-7-6-18(21)20-17-11-14(22-3)4-5-16(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide?
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 17034684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).