3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide

C32H40N2O8 — CID 5007008

IUPAC3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)c2)cc(OCC)c1OCC
InChIInChI=1S/C32H40N2O8/c1-7-37-25-16-21(17-26(38-8-2)29(25)41-11-5)31(35)33-23-14-13-15-24(20-23)34-32(36)22-18-27(39-9-3)30(42-12-6)28(19-22)40-10-4/h13-20H,7-12H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyPIPXWLUISHYQEL-UHFFFAOYSA-N
MW580.68 g/mol
LogP6.58
Rot. Bonds16

About 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide

3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide (PubChem CID 5007008) has the molecular formula C32H40N2O8 and a molecular weight of 580.68 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
PubChem CID5007008
Molecular FormulaC32H40N2O8
Molecular Weight580.68 g/mol
Exact Mass580.28
IUPAC Name3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)c2)cc(OCC)c1OCC
InChIInChI=1S/C32H40N2O8/c1-7-37-25-16-21(17-26(38-8-2)29(25)41-11-5)31(35)33-23-14-13-15-24(20-23)34-32(36)22-18-27(39-9-3)30(42-12-6)28(19-22)40-10-4/h13-20H,7-12H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyPIPXWLUISHYQEL-UHFFFAOYSA-N
XLogP6.58
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
tert-butyl N-[3-oxo-3-[3-[(3,4,5-triethoxybenzoyl)amino]anilino]propyl]carbamate
CID 108920014
tert-butyl N-[2-oxo-2-[3-[(3,4,5-triethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108917111
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675140
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide (CID 5007008) is 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide is CCOc1cc(C(=O)Nc2cccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide?
The InChIKey is PIPXWLUISHYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O8/c1-7-37-25-16-21(17-26(38-8-2)29(25)41-11-5)31(35)33-23-14-13-15-24(20-23)34-32(36)22-18-27(39-9-3)30(42-12-6)28(19-22)40-10-4/h13-20H,7-12H2,1-6H3,(H,33,35)(H,34,36).
What are the key properties of 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide?
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide has a molecular weight of 580.68 g/mol, XLogP of 6.58, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 5007008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).