N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide

C20H24N4O3 — CID 54809172

IUPACN-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-4-19(26)23-17-9-11-18(12-10-17)24-20(27)13-21-15-5-7-16(8-6-15)22-14(2)25/h5-12,21H,3-4,13H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKHYXDECCGJAXFP-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.43
Rot. Bonds8

About N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide

N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54809172) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
PubChem CID54809172
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-4-19(26)23-17-9-11-18(12-10-17)24-20(27)13-21-15-5-7-16(8-6-15)22-14(2)25/h5-12,21H,3-4,13H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKHYXDECCGJAXFP-UHFFFAOYSA-N
XLogP3.43
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide (CID 54809172) is N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is KHYXDECCGJAXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-4-19(26)23-17-9-11-18(12-10-17)24-20(27)13-21-15-5-7-16(8-6-15)22-14(2)25/h5-12,21H,3-4,13H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide has a molecular weight of 368.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54809172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).