2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide

C32H32N2O4 — CID 4556792

IUPAC2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3OCC)c(C)c2)cc1C
InChIInChI=1S/C32H32N2O4/c1-5-37-29-13-9-7-11-25(29)31(35)33-27-17-15-23(19-21(27)3)24-16-18-28(22(4)20-24)34-32(36)26-12-8-10-14-30(26)38-6-2/h7-20H,5-6H2,1-4H3,(H,33,35)(H,34,36)
InChIKeyGKUYSALOMGTNHI-UHFFFAOYSA-N
MW508.62 g/mol
LogP7.27
Rot. Bonds9

About 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide

2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide (PubChem CID 4556792) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
PubChem CID4556792
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3OCC)c(C)c2)cc1C
InChIInChI=1S/C32H32N2O4/c1-5-37-29-13-9-7-11-25(29)31(35)33-27-17-15-23(19-21(27)3)24-16-18-28(22(4)20-24)34-32(36)26-12-8-10-14-30(26)38-6-2/h7-20H,5-6H2,1-4H3,(H,33,35)(H,34,36)
InChIKeyGKUYSALOMGTNHI-UHFFFAOYSA-N
XLogP7.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide (CID 4556792) is 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3OCC)c(C)c2)cc1C.
What is the InChIKey of 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The InChIKey is GKUYSALOMGTNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-5-37-29-13-9-7-11-25(29)31(35)33-27-17-15-23(19-21(27)3)24-16-18-28(22(4)20-24)34-32(36)26-12-8-10-14-30(26)38-6-2/h7-20H,5-6H2,1-4H3,(H,33,35)(H,34,36).
What are the key properties of 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide has a molecular weight of 508.62 g/mol, XLogP of 7.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 4556792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).