N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide

C33H32N2O7 — CID 4025593

IUPACN-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
SMILESCCOc1cc(NC(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C33H32N2O7/c1-5-41-29-20-27(30(42-6-2)19-26(29)34-32(37)22-10-8-7-9-11-22)35-33(38)23-14-12-21(13-15-23)31(36)25-18-24(39-3)16-17-28(25)40-4/h7-20H,5-6H2,1-4H3,(H,34,37)(H,35,38)
InChIKeyAPHPVTUUXUSKPQ-UHFFFAOYSA-N
MW568.63 g/mol
LogP6.24
Rot. Bonds12

About N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide

N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide (PubChem CID 4025593) has the molecular formula C33H32N2O7 and a molecular weight of 568.63 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
PubChem CID4025593
Molecular FormulaC33H32N2O7
Molecular Weight568.63 g/mol
Exact Mass568.22
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
SMILESCCOc1cc(NC(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C33H32N2O7/c1-5-41-29-20-27(30(42-6-2)19-26(29)34-32(37)22-10-8-7-9-11-22)35-33(38)23-14-12-21(13-15-23)31(36)25-18-24(39-3)16-17-28(25)40-4/h7-20H,5-6H2,1-4H3,(H,34,37)(H,35,38)
InChIKeyAPHPVTUUXUSKPQ-UHFFFAOYSA-N
XLogP6.24
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 1045731
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
N-[2,5-diethoxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642597
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
N-[4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 46554620
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide (CID 4025593) is N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide is CCOc1cc(NC(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
The InChIKey is APHPVTUUXUSKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O7/c1-5-41-29-20-27(30(42-6-2)19-26(29)34-32(37)22-10-8-7-9-11-22)35-33(38)23-14-12-21(13-15-23)31(36)25-18-24(39-3)16-17-28(25)40-4/h7-20H,5-6H2,1-4H3,(H,34,37)(H,35,38).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide has a molecular weight of 568.63 g/mol, XLogP of 6.24, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide is sourced from PubChem (CID 4025593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).