N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide

C19H23NO3 — CID 797118

IUPACN-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-14-7-12-18(23-3)17(13-14)20-19(21)6-4-5-15-8-10-16(22-2)11-9-15/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyTYOCZROTSHFDBN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide

N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide (PubChem CID 797118) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide
PubChem CID797118
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-14-7-12-18(23-3)17(13-14)20-19(21)6-4-5-15-8-10-16(22-2)11-9-15/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyTYOCZROTSHFDBN-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide (CID 797118) is N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide?
The InChIKey is TYOCZROTSHFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-7-12-18(23-3)17(13-14)20-19(21)6-4-5-15-8-10-16(22-2)11-9-15/h7-13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide?
N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 797118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).