3-(3,4-diaminoanilino)-N,N-diethylpropanamide

C13H22N4O — CID 106751126

IUPAC3-(3,4-diaminoanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccc(N)c(N)c1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)13(18)7-8-16-10-5-6-11(14)12(15)9-10/h5-6,9,16H,3-4,7-8,14-15H2,1-2H3
InChIKeyCJNLSCMCENLZIM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.52
Rot. Bonds6

About 3-(3,4-diaminoanilino)-N,N-diethylpropanamide

3-(3,4-diaminoanilino)-N,N-diethylpropanamide (PubChem CID 106751126) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(3,4-diaminoanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3,4-diaminoanilino)-N,N-diethylpropanamide
PubChem CID106751126
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(3,4-diaminoanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccc(N)c(N)c1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)13(18)7-8-16-10-5-6-11(14)12(15)9-10/h5-6,9,16H,3-4,7-8,14-15H2,1-2H3
InChIKeyCJNLSCMCENLZIM-UHFFFAOYSA-N
XLogP1.52
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
N,N-diethyl-3-(4-nitroanilino)propanamide
CID 60925954
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide
CID 104613106
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109030656
4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133127
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133203
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diaminoanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(3,4-diaminoanilino)-N,N-diethylpropanamide (CID 106751126) is 3-(3,4-diaminoanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3,4-diaminoanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(3,4-diaminoanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1ccc(N)c(N)c1.
What is the InChIKey of 3-(3,4-diaminoanilino)-N,N-diethylpropanamide?
The InChIKey is CJNLSCMCENLZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17(4-2)13(18)7-8-16-10-5-6-11(14)12(15)9-10/h5-6,9,16H,3-4,7-8,14-15H2,1-2H3.
What are the key properties of 3-(3,4-diaminoanilino)-N,N-diethylpropanamide?
3-(3,4-diaminoanilino)-N,N-diethylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diaminoanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 106751126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).