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

C18H20ClNO3 — CID 17341494

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H20ClNO3/c1-11-7-12(2)9-15(8-11)23-13(3)18(21)20-16-10-14(19)5-6-17(16)22-4/h5-10,13H,1-4H3,(H,20,21)
InChIKeyDMSGUONXZKBBJI-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.37
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 17341494) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID17341494
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H20ClNO3/c1-11-7-12(2)9-15(8-11)23-13(3)18(21)20-16-10-14(19)5-6-17(16)22-4/h5-10,13H,1-4H3,(H,20,21)
InChIKeyDMSGUONXZKBBJI-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide (CID 17341494) is N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Oc1cc(C)cc(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is DMSGUONXZKBBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-11-7-12(2)9-15(8-11)23-13(3)18(21)20-16-10-14(19)5-6-17(16)22-4/h5-10,13H,1-4H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 17341494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).