N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide

C25H35N3O4 — CID 108795354

IUPACN-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
SMILESCCCCN(C)CCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C25H35N3O4/c1-5-8-15-28(4)16-14-24(29)26-20-17-23(32-7-3)21(18-22(20)31-6-2)27-25(30)19-12-10-9-11-13-19/h9-13,17-18H,5-8,14-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyPZVRMYHYBHFQLM-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.80
Rot. Bonds13

About N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide

N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide (PubChem CID 108795354) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
PubChem CID108795354
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC NameN-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
SMILESCCCCN(C)CCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C25H35N3O4/c1-5-8-15-28(4)16-14-24(29)26-20-17-23(32-7-3)21(18-22(20)31-6-2)27-25(30)19-12-10-9-11-13-19/h9-13,17-18H,5-8,14-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyPZVRMYHYBHFQLM-UHFFFAOYSA-N
XLogP4.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 43061699
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-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide (CID 108795354) is N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide is CCCCN(C)CCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC.
What is the InChIKey of N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is PZVRMYHYBHFQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-5-8-15-28(4)16-14-24(29)26-20-17-23(32-7-3)21(18-22(20)31-6-2)27-25(30)19-12-10-9-11-13-19/h9-13,17-18H,5-8,14-16H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide?
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 441.57 g/mol, XLogP of 4.80, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 108795354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).