N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide

C25H26N4O3 — CID 54839157

IUPACN-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H26N4O3/c1-2-8-23(30)27-20-12-7-13-21(16-20)28-24(31)17-26-19-11-6-14-22(15-19)29-25(32)18-9-4-3-5-10-18/h3-7,9-16,26H,2,8,17H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyMTKDUBDDNTWSEZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.73
Rot. Bonds9

About N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54839157) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54839157
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H26N4O3/c1-2-8-23(30)27-20-12-7-13-21(16-20)28-24(31)17-26-19-11-6-14-22(15-19)29-25(32)18-9-4-3-5-10-18/h3-7,9-16,26H,2,8,17H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyMTKDUBDDNTWSEZ-UHFFFAOYSA-N
XLogP4.73
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide (CID 54839157) is N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide is CCCC(=O)Nc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is MTKDUBDDNTWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-2-8-23(30)27-20-12-7-13-21(16-20)28-24(31)17-26-19-11-6-14-22(15-19)29-25(32)18-9-4-3-5-10-18/h3-7,9-16,26H,2,8,17H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.73, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).