N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide

C20H24N4O3 — CID 54809331

IUPACN-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-13(2)20(27)24-18-6-4-5-17(11-18)23-19(26)12-21-15-7-9-16(10-8-15)22-14(3)25/h4-11,13,21H,12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFTZAXOWSQGJSJB-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.29
Rot. Bonds7

About N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54809331) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54809331
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-13(2)20(27)24-18-6-4-5-17(11-18)23-19(26)12-21-15-7-9-16(10-8-15)22-14(3)25/h4-11,13,21H,12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFTZAXOWSQGJSJB-UHFFFAOYSA-N
XLogP3.29
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N-[3-[[2-(4-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54821435

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide (CID 54809331) is N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide is CC(=O)Nc1ccc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is FTZAXOWSQGJSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)20(27)24-18-6-4-5-17(11-18)23-19(26)12-21-15-7-9-16(10-8-15)22-14(3)25/h4-11,13,21H,12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 368.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54809331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).