2-[4-(dimethylamino)anilino]butanamide

C12H19N3O — CID 62900216

IUPAC2-[4-(dimethylamino)anilino]butanamide
SMILESCCC(Nc1ccc(N(C)C)cc1)C(N)=O
InChIInChI=1S/C12H19N3O/c1-4-11(12(13)16)14-9-5-7-10(8-6-9)15(2)3/h5-8,11,14H,4H2,1-3H3,(H2,13,16)
InChIKeyJQKGGUBOSMKKNB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-(dimethylamino)anilino]butanamide

2-[4-(dimethylamino)anilino]butanamide (PubChem CID 62900216) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]butanamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]butanamide
PubChem CID62900216
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[4-(dimethylamino)anilino]butanamide
SMILESCCC(Nc1ccc(N(C)C)cc1)C(N)=O
InChIInChI=1S/C12H19N3O/c1-4-11(12(13)16)14-9-5-7-10(8-6-9)15(2)3/h5-8,11,14H,4H2,1-3H3,(H2,13,16)
InChIKeyJQKGGUBOSMKKNB-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
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-(4-iodoanilino)butanamide
CID 62900403
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
2-(4-methoxyanilino)butanamide
CID 61005469
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
2-[4-(dimethylamino)phenyl]-2-(4-methylanilino)acetamide
CID 61006085
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
ethyl 2-(4-aminoanilino)butanoate
CID 154214416
2-[4-(2-piperidin-1-ylethyl)anilino]butanamide
CID 56788823
2-(3-propan-2-ylanilino)butanamide
CID 62900215
2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031381
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]butanamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]butanamide (CID 62900216) is 2-[4-(dimethylamino)anilino]butanamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]butanamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]butanamide is CCC(Nc1ccc(N(C)C)cc1)C(N)=O.
What is the InChIKey of 2-[4-(dimethylamino)anilino]butanamide?
The InChIKey is JQKGGUBOSMKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-11(12(13)16)14-9-5-7-10(8-6-9)15(2)3/h5-8,11,14H,4H2,1-3H3,(H2,13,16).
What are the key properties of 2-[4-(dimethylamino)anilino]butanamide?
2-[4-(dimethylamino)anilino]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]butanamide is sourced from PubChem (CID 62900216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).