2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide

C18H29N3O2 — CID 113176823

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C18H29N3O2/c1-6-14(4)19-18(23)13-21(15(5)22)17-11-9-16(10-12-17)20(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3,(H,19,23)
InChIKeyMZWASAMFCKDGMU-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.80
Rot. Bonds8

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

2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide (PubChem CID 113176823) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
PubChem CID113176823
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C18H29N3O2/c1-6-14(4)19-18(23)13-21(15(5)22)17-11-9-16(10-12-17)20(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3,(H,19,23)
InChIKeyMZWASAMFCKDGMU-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.80
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-propan-2-yloxyanilino)-N-butan-2-ylacetamide
CID 113174353
2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
CID 113176846
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
CID 113178218
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
CID 113176819
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
CID 63231608
2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 113178927
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide (CID 113176823) is 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide?
The InChIKey is MZWASAMFCKDGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-14(4)19-18(23)13-21(15(5)22)17-11-9-16(10-12-17)20(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3,(H,19,23).
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide has a molecular weight of 319.45 g/mol, XLogP of 2.80, 8 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-butan-2-ylacetamide is sourced from PubChem (CID 113176823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).