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

C12H19N3O — CID 61311530

IUPAC5-amino-2-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C12H19N3O/c1-3-4-8(2)15-11-6-5-9(13)7-10(11)12(14)16/h5-8,15H,3-4,13H2,1-2H3,(H2,14,16)
InChIKeyXCWUGNUYMLTUCX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

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

5-amino-2-(pentan-2-ylamino)benzamide (PubChem CID 61311530) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-2-(pentan-2-ylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-(pentan-2-ylamino)benzamide
PubChem CID61311530
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-amino-2-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C12H19N3O/c1-3-4-8(2)15-11-6-5-9(13)7-10(11)12(14)16/h5-8,15H,3-4,13H2,1-2H3,(H2,14,16)
InChIKeyXCWUGNUYMLTUCX-UHFFFAOYSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
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)benzamide
CID 61311336
propan-2-yl 5-amino-2-[[(2R)-pentan-2-yl]amino]benzoate
CID 100653770
5-amino-N-ethyl-2-[[(2R)-pentan-2-yl]amino]benzamide
CID 100653834
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
5-amino-2-(octan-2-ylamino)benzoic acid
CID 61478878
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
2-amino-3-(pentan-2-ylamino)benzamide
CID 115544249
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(pentan-2-ylamino)benzamide?
The IUPAC name of 5-amino-2-(pentan-2-ylamino)benzamide (CID 61311530) is 5-amino-2-(pentan-2-ylamino)benzamide.
What is the SMILES notation for 5-amino-2-(pentan-2-ylamino)benzamide?
The canonical SMILES for 5-amino-2-(pentan-2-ylamino)benzamide is CCCC(C)Nc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(pentan-2-ylamino)benzamide?
The InChIKey is XCWUGNUYMLTUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-8(2)15-11-6-5-9(13)7-10(11)12(14)16/h5-8,15H,3-4,13H2,1-2H3,(H2,14,16).
What are the key properties of 5-amino-2-(pentan-2-ylamino)benzamide?
5-amino-2-(pentan-2-ylamino)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(pentan-2-ylamino)benzamide is sourced from PubChem (CID 61311530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).