N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide

C25H26N4O3 — CID 54844860

IUPACN-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)ccc1C
InChIInChI=1S/C25H26N4O3/c1-3-23(30)29-22-15-19(13-12-17(22)2)26-16-24(31)27-20-10-7-11-21(14-20)28-25(32)18-8-5-4-6-9-18/h4-15,26H,3,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyRWEFXMKEUQMSRP-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.65
Rot. Bonds8

About N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide

N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide (PubChem CID 54844860) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
PubChem CID54844860
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)ccc1C
InChIInChI=1S/C25H26N4O3/c1-3-23(30)29-22-15-19(13-12-17(22)2)26-16-24(31)27-20-10-7-11-21(14-20)28-25(32)18-8-5-4-6-9-18/h4-15,26H,3,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyRWEFXMKEUQMSRP-UHFFFAOYSA-N
XLogP4.65
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide (CID 54844860) is N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide is CCC(=O)Nc1cc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)ccc1C.
What is the InChIKey of N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide?
The InChIKey is RWEFXMKEUQMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-23(30)29-22-15-19(13-12-17(22)2)26-16-24(31)27-20-10-7-11-21(14-20)28-25(32)18-8-5-4-6-9-18/h4-15,26H,3,16H2,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide?
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54844860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).