N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide

C32H32N2O4 — CID 25267205

IUPACN-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide
SMILESCOc1ccc(-c2ccc(C)c(-c3c(C)ccc(-c4ccc(OC)cc4)c3NC(C)=O)c2NC(C)=O)cc1
InChIInChI=1S/C32H32N2O4/c1-19-7-17-27(23-9-13-25(37-5)14-10-23)31(33-21(3)35)29(19)30-20(2)8-18-28(32(30)34-22(4)36)24-11-15-26(38-6)16-12-24/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyWIJJTDPEHKLOEF-UHFFFAOYSA-N
MW508.62 g/mol
LogP7.24
Rot. Bonds7

About N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide

N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide (PubChem CID 25267205) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide
PubChem CID25267205
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC NameN-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide
SMILESCOc1ccc(-c2ccc(C)c(-c3c(C)ccc(-c4ccc(OC)cc4)c3NC(C)=O)c2NC(C)=O)cc1
InChIInChI=1S/C32H32N2O4/c1-19-7-17-27(23-9-13-25(37-5)14-10-23)31(33-21(3)35)29(19)30-20(2)8-18-28(32(30)34-22(4)36)24-11-15-26(38-6)16-12-24/h7-18H,1-6H3,(H,33,35)(H,34,36)
InChIKeyWIJJTDPEHKLOEF-UHFFFAOYSA-N
XLogP7.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide?
The IUPAC name of N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide (CID 25267205) is N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide?
The canonical SMILES for N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide is COc1ccc(-c2ccc(C)c(-c3c(C)ccc(-c4ccc(OC)cc4)c3NC(C)=O)c2NC(C)=O)cc1.
What is the InChIKey of N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide?
The InChIKey is WIJJTDPEHKLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-19-7-17-27(23-9-13-25(37-5)14-10-23)31(33-21(3)35)29(19)30-20(2)8-18-28(32(30)34-22(4)36)24-11-15-26(38-6)16-12-24/h7-18H,1-6H3,(H,33,35)(H,34,36).
What are the key properties of N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide?
N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide has a molecular weight of 508.62 g/mol, XLogP of 7.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide is sourced from PubChem (CID 25267205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).