2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide

C20H33N3O2 — CID 113176880

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C20H33N3O2/c1-6-14-22(15-7-2)20(25)16-23(17(5)24)19-12-10-18(11-13-19)21(8-3)9-4/h10-13H,6-9,14-16H2,1-5H3
InChIKeyNUQSWCYDGYJSDG-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.53
Rot. Bonds10

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

2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide (PubChem CID 113176880) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
PubChem CID113176880
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C20H33N3O2/c1-6-14-22(15-7-2)20(25)16-23(17(5)24)19-12-10-18(11-13-19)21(8-3)9-4/h10-13H,6-9,14-16H2,1-5H3
InChIKeyNUQSWCYDGYJSDG-UHFFFAOYSA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
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-chloroanilino)-N,N-dipropylacetamide
CID 113171553
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
CID 113178455
3-[N-acetyl-4-(diethylamino)anilino]propanoic acid
CID 82320400
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
CID 113176819
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
CID 113178595
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
CID 113128684
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide (CID 113176880) is 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide?
The InChIKey is NUQSWCYDGYJSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-14-22(15-7-2)20(25)16-23(17(5)24)19-12-10-18(11-13-19)21(8-3)9-4/h10-13H,6-9,14-16H2,1-5H3.
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide has a molecular weight of 347.50 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide is sourced from PubChem (CID 113176880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).