2-[3-(dimethylamino)-4-methylanilino]butanamide

C13H21N3O — CID 113297760

IUPAC2-[3-(dimethylamino)-4-methylanilino]butanamide
SMILESCCC(Nc1ccc(C)c(N(C)C)c1)C(N)=O
InChIInChI=1S/C13H21N3O/c1-5-11(13(14)17)15-10-7-6-9(2)12(8-10)16(3)4/h6-8,11,15H,5H2,1-4H3,(H2,14,17)
InChIKeyCCBCOXDQTZASBI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.74
Rot. Bonds5

About 2-[3-(dimethylamino)-4-methylanilino]butanamide

2-[3-(dimethylamino)-4-methylanilino]butanamide (PubChem CID 113297760) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylanilino]butanamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylanilino]butanamide
PubChem CID113297760
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(dimethylamino)-4-methylanilino]butanamide
SMILESCCC(Nc1ccc(C)c(N(C)C)c1)C(N)=O
InChIInChI=1S/C13H21N3O/c1-5-11(13(14)17)15-10-7-6-9(2)12(8-10)16(3)4/h6-8,11,15H,5H2,1-4H3,(H2,14,17)
InChIKeyCCBCOXDQTZASBI-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)-4-methylanilino]hexanoic acid
CID 103260514
methyl 3-amino-2-[3-(dimethylamino)-4-methylanilino]propanoate
CID 114242330
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
2-(4-iodoanilino)butanamide
CID 62900403
ethyl 2-(3-bromo-4-methylanilino)butanoate
CID 64669977
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
2-(4-methoxyanilino)butanamide
CID 61005469
2-(3-propan-2-ylanilino)butanamide
CID 62900215
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]butanamide?
The IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]butanamide (CID 113297760) is 2-[3-(dimethylamino)-4-methylanilino]butanamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylanilino]butanamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylanilino]butanamide is CCC(Nc1ccc(C)c(N(C)C)c1)C(N)=O.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylanilino]butanamide?
The InChIKey is CCBCOXDQTZASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-11(13(14)17)15-10-7-6-9(2)12(8-10)16(3)4/h6-8,11,15H,5H2,1-4H3,(H2,14,17).
What are the key properties of 2-[3-(dimethylamino)-4-methylanilino]butanamide?
2-[3-(dimethylamino)-4-methylanilino]butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylanilino]butanamide is sourced from PubChem (CID 113297760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).