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

C27H31NO4 — CID 2945141

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide
SMILESCOc1ccc(C(CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C27H31NO4/c1-20(29)28(19-21-10-15-26(31-3)27(18-21)32-4)17-16-25(22-8-6-5-7-9-22)23-11-13-24(30-2)14-12-23/h5-15,18,25H,16-17,19H2,1-4H3
InChIKeyFIAIWQVEJJZKHG-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.28
Rot. Bonds10

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

N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide (PubChem CID 2945141) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide
PubChem CID2945141
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide
SMILESCOc1ccc(C(CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C27H31NO4/c1-20(29)28(19-21-10-15-26(31-3)27(18-21)32-4)17-16-25(22-8-6-5-7-9-22)23-11-13-24(30-2)14-12-23/h5-15,18,25H,16-17,19H2,1-4H3
InChIKeyFIAIWQVEJJZKHG-UHFFFAOYSA-N
XLogP5.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.28
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)-3-phenylpropyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide (CID 2945141) is N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide is COc1ccc(C(CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)c2ccccc2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide?
The InChIKey is FIAIWQVEJJZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-20(29)28(19-21-10-15-26(31-3)27(18-21)32-4)17-16-25(22-8-6-5-7-9-22)23-11-13-24(30-2)14-12-23/h5-15,18,25H,16-17,19H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-3-phenylpropyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 5.28, 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)-3-phenylpropyl]acetamide is sourced from PubChem (CID 2945141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).