2-(4-amino-3-methylanilino)-N,N-diethylpropanamide

C14H23N3O — CID 113408308

IUPAC2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccc(N)c(C)c1
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)14(18)11(4)16-12-7-8-13(15)10(3)9-12/h7-9,11,16H,5-6,15H2,1-4H3
InChIKeyRDKBJAAZWOLFIJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide

2-(4-amino-3-methylanilino)-N,N-diethylpropanamide (PubChem CID 113408308) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
PubChem CID113408308
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccc(N)c(C)c1
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)14(18)11(4)16-12-7-8-13(15)10(3)9-12/h7-9,11,16H,5-6,15H2,1-4H3
InChIKeyRDKBJAAZWOLFIJ-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
2-[(4-amino-5-methyl-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408305
methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate
CID 103113350
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 114407679
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide (CID 113408308) is 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide?
The InChIKey is RDKBJAAZWOLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(6-2)14(18)11(4)16-12-7-8-13(15)10(3)9-12/h7-9,11,16H,5-6,15H2,1-4H3.
What are the key properties of 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide?
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 113408308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).