N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide

C24H33NO4 — CID 3841962

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide
SMILESCOc1ccc(C(CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)C(C)C)cc1
InChIInChI=1S/C24H33NO4/c1-17(2)22(20-8-10-21(27-4)11-9-20)13-14-25(18(3)26)16-19-7-12-23(28-5)24(15-19)29-6/h7-12,15,17,22H,13-14,16H2,1-6H3
InChIKeyZBDKQYVXGDKTGI-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.89
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide (PubChem CID 3841962) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide
PubChem CID3841962
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide
SMILESCOc1ccc(C(CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)C(C)C)cc1
InChIInChI=1S/C24H33NO4/c1-17(2)22(20-8-10-21(27-4)11-9-20)13-14-25(18(3)26)16-19-7-12-23(28-5)24(15-19)29-6/h7-12,15,17,22H,13-14,16H2,1-6H3
InChIKeyZBDKQYVXGDKTGI-UHFFFAOYSA-N
XLogP4.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide (CID 3841962) is N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide is COc1ccc(C(CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)C(C)C)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide?
The InChIKey is ZBDKQYVXGDKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-17(2)22(20-8-10-21(27-4)11-9-20)13-14-25(18(3)26)16-19-7-12-23(28-5)24(15-19)29-6/h7-12,15,17,22H,13-14,16H2,1-6H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide has a molecular weight of 399.53 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide is sourced from PubChem (CID 3841962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).