2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide

C17H25N3O2 — CID 113176819

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NC2CC2)C(C)=O)cc1
InChIInChI=1S/C17H25N3O2/c1-4-19(5-2)15-8-10-16(11-9-15)20(13(3)21)12-17(22)18-14-6-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,18,22)
InChIKeyYUCFJKQGFNCHPX-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.16
Rot. Bonds7

About 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide

2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide (PubChem CID 113176819) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
PubChem CID113176819
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NC2CC2)C(C)=O)cc1
InChIInChI=1S/C17H25N3O2/c1-4-19(5-2)15-8-10-16(11-9-15)20(13(3)21)12-17(22)18-14-6-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,18,22)
InChIKeyYUCFJKQGFNCHPX-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
CID 113179941
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide (CID 113176819) is 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide is CCN(CC)c1ccc(N(CC(=O)NC2CC2)C(C)=O)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide?
The InChIKey is YUCFJKQGFNCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-19(5-2)15-8-10-16(11-9-15)20(13(3)21)12-17(22)18-14-6-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,18,22).
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide has a molecular weight of 303.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide is sourced from PubChem (CID 113176819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).