5-amino-2-(butan-2-ylamino)benzamide

C11H17N3O — CID 61311336

IUPAC5-amino-2-(butan-2-ylamino)benzamide
SMILESCCC(C)Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H17N3O/c1-3-7(2)14-10-5-4-8(12)6-9(10)11(13)15/h4-7,14H,3,12H2,1-2H3,(H2,13,15)
InChIKeyDNKGDWXLONAHAN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-2-(butan-2-ylamino)benzamide

5-amino-2-(butan-2-ylamino)benzamide (PubChem CID 61311336) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-2-(butan-2-ylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-(butan-2-ylamino)benzamide
PubChem CID61311336
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-amino-2-(butan-2-ylamino)benzamide
SMILESCCC(C)Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H17N3O/c1-3-7(2)14-10-5-4-8(12)6-9(10)11(13)15/h4-7,14H,3,12H2,1-2H3,(H2,13,15)
InChIKeyDNKGDWXLONAHAN-UHFFFAOYSA-N
XLogP1.58
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
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

5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
CID 140538473
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
5-amino-2-(octan-2-ylamino)benzoic acid
CID 61478878
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(butan-2-ylamino)benzamide?
The IUPAC name of 5-amino-2-(butan-2-ylamino)benzamide (CID 61311336) is 5-amino-2-(butan-2-ylamino)benzamide.
What is the SMILES notation for 5-amino-2-(butan-2-ylamino)benzamide?
The canonical SMILES for 5-amino-2-(butan-2-ylamino)benzamide is CCC(C)Nc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(butan-2-ylamino)benzamide?
The InChIKey is DNKGDWXLONAHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-7(2)14-10-5-4-8(12)6-9(10)11(13)15/h4-7,14H,3,12H2,1-2H3,(H2,13,15).
What are the key properties of 5-amino-2-(butan-2-ylamino)benzamide?
5-amino-2-(butan-2-ylamino)benzamide has a molecular weight of 207.28 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 5-amino-2-(butan-2-ylamino)benzamide is sourced from PubChem (CID 61311336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).