N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide

C25H34N2O4 — CID 1428135

IUPACN-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
SMILESCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC
InChIInChI=1S/C25H34N2O4/c1-7-10-23(28)26-19-15-22(31-9-3)20(16-21(19)30-8-2)27-24(29)17-11-13-18(14-12-17)25(4,5)6/h11-16H,7-10H2,1-6H3,(H,26,28)(H,27,29)
InChIKeySBKNGIWJJLLOQG-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.77
Rot. Bonds9

About N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide

N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide (PubChem CID 1428135) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
PubChem CID1428135
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
SMILESCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC
InChIInChI=1S/C25H34N2O4/c1-7-10-23(28)26-19-15-22(31-9-3)20(16-21(19)30-8-2)27-24(29)17-11-13-18(14-12-17)25(4,5)6/h11-16H,7-10H2,1-6H3,(H,26,28)(H,27,29)
InChIKeySBKNGIWJJLLOQG-UHFFFAOYSA-N
XLogP5.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide
CID 3186773
4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 164614809
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
N-[4-(2-bromo-2-methylpropanoyl)-2-ethoxyphenyl]butanamide
CID 82258987
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide (CID 1428135) is N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide is CCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC.
What is the InChIKey of N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide?
The InChIKey is SBKNGIWJJLLOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-7-10-23(28)26-19-15-22(31-9-3)20(16-21(19)30-8-2)27-24(29)17-11-13-18(14-12-17)25(4,5)6/h11-16H,7-10H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide?
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide has a molecular weight of 426.56 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 1428135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).