2-amino-3-(cyclobutylmethylamino)benzamide

C12H17N3O — CID 115544780

IUPAC2-amino-3-(cyclobutylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCC2CCC2)c1N
InChIInChI=1S/C12H17N3O/c13-11-9(12(14)16)5-2-6-10(11)15-7-8-3-1-4-8/h2,5-6,8,15H,1,3-4,7,13H2,(H2,14,16)
InChIKeyHWTUAILKAGSBRX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-3-(cyclobutylmethylamino)benzamide

2-amino-3-(cyclobutylmethylamino)benzamide (PubChem CID 115544780) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-3-(cyclobutylmethylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(cyclobutylmethylamino)benzamide
PubChem CID115544780
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-3-(cyclobutylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCC2CCC2)c1N
InChIInChI=1S/C12H17N3O/c13-11-9(12(14)16)5-2-6-10(11)15-7-8-3-1-4-8/h2,5-6,8,15H,1,3-4,7,13H2,(H2,14,16)
InChIKeyHWTUAILKAGSBRX-UHFFFAOYSA-N
XLogP1.58
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
2-(cyclohexylmethylamino)benzenecarbothioamide
CID 43371658
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
methyl 2-amino-3-[(1,1-dioxothiolan-3-yl)methylamino]benzoate
CID 115545812
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclobutylmethylamino)benzamide?
The IUPAC name of 2-amino-3-(cyclobutylmethylamino)benzamide (CID 115544780) is 2-amino-3-(cyclobutylmethylamino)benzamide.
What is the SMILES notation for 2-amino-3-(cyclobutylmethylamino)benzamide?
The canonical SMILES for 2-amino-3-(cyclobutylmethylamino)benzamide is NC(=O)c1cccc(NCC2CCC2)c1N.
What is the InChIKey of 2-amino-3-(cyclobutylmethylamino)benzamide?
The InChIKey is HWTUAILKAGSBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-9(12(14)16)5-2-6-10(11)15-7-8-3-1-4-8/h2,5-6,8,15H,1,3-4,7,13H2,(H2,14,16).
What are the key properties of 2-amino-3-(cyclobutylmethylamino)benzamide?
2-amino-3-(cyclobutylmethylamino)benzamide has a molecular weight of 219.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclobutylmethylamino)benzamide is sourced from PubChem (CID 115544780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).