2-(4-amino-N-butyl-2-methylanilino)acetamide

C13H21N3O — CID 55002760

IUPAC2-(4-amino-N-butyl-2-methylanilino)acetamide
SMILESCCCCN(CC(N)=O)c1ccc(N)cc1C
InChIInChI=1S/C13H21N3O/c1-3-4-7-16(9-13(15)17)12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9,14H2,1-2H3,(H2,15,17)
InChIKeyUPUFBVQBLHRMDP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.67
Rot. Bonds6

About 2-(4-amino-N-butyl-2-methylanilino)acetamide

2-(4-amino-N-butyl-2-methylanilino)acetamide (PubChem CID 55002760) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-amino-N-butyl-2-methylanilino)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-butyl-2-methylanilino)acetamide
PubChem CID55002760
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(4-amino-N-butyl-2-methylanilino)acetamide
SMILESCCCCN(CC(N)=O)c1ccc(N)cc1C
InChIInChI=1S/C13H21N3O/c1-3-4-7-16(9-13(15)17)12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9,14H2,1-2H3,(H2,15,17)
InChIKeyUPUFBVQBLHRMDP-UHFFFAOYSA-N
XLogP1.67
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
2-[(8-amino-3-methylisoquinolin-5-yl)-butylamino]acetamide
CID 102713247
ethyl 5-amino-2-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 62921611
2-[N-butyl-2-(hydroxymethyl)anilino]acetamide
CID 55003388
ethyl 2-amino-3-[(2-amino-2-oxoethyl)-butylamino]benzoate
CID 115545550
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
CID 81148812
1-N-butyl-1-N-cyclopropyl-2-methylbenzene-1,4-diamine
CID 61440854
1-N-ethyl-2-methyl-1-N-propylbenzene-1,4-diamine;methanesulfonamide
CID 70576933
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
2-(4,6-diamino-N-butyl-3-chloro-2-fluoroanilino)acetamide
CID 103552916
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-butyl-2-methylanilino)acetamide?
The IUPAC name of 2-(4-amino-N-butyl-2-methylanilino)acetamide (CID 55002760) is 2-(4-amino-N-butyl-2-methylanilino)acetamide.
What is the SMILES notation for 2-(4-amino-N-butyl-2-methylanilino)acetamide?
The canonical SMILES for 2-(4-amino-N-butyl-2-methylanilino)acetamide is CCCCN(CC(N)=O)c1ccc(N)cc1C.
What is the InChIKey of 2-(4-amino-N-butyl-2-methylanilino)acetamide?
The InChIKey is UPUFBVQBLHRMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-7-16(9-13(15)17)12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-(4-amino-N-butyl-2-methylanilino)acetamide?
2-(4-amino-N-butyl-2-methylanilino)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-butyl-2-methylanilino)acetamide is sourced from PubChem (CID 55002760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).