2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide

C15H23N3O2 — CID 104528602

IUPAC2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-5-18(9-15(20)17-10(2)3)12-6-7-13(11(4)19)14(16)8-12/h6-8,10H,5,9,16H2,1-4H3,(H,17,20)
InChIKeyNPHQOUWFWLGLOW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide

2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide (PubChem CID 104528602) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
PubChem CID104528602
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-5-18(9-15(20)17-10(2)3)12-6-7-13(11(4)19)14(16)8-12/h6-8,10H,5,9,16H2,1-4H3,(H,17,20)
InChIKeyNPHQOUWFWLGLOW-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-amino-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 104500429
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
CID 114064086
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
CID 104528378
2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
CID 104528702

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide (CID 104528602) is 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide?
The InChIKey is NPHQOUWFWLGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-18(9-15(20)17-10(2)3)12-6-7-13(11(4)19)14(16)8-12/h6-8,10H,5,9,16H2,1-4H3,(H,17,20).
What are the key properties of 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide?
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 104528602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).