2-amino-3-(pentan-2-ylamino)benzamide

C12H19N3O — CID 115544249

IUPAC2-amino-3-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O/c1-3-5-8(2)15-10-7-4-6-9(11(10)13)12(14)16/h4,6-8,15H,3,5,13H2,1-2H3,(H2,14,16)
InChIKeyVXOMDPXJKKKPKB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

About 2-amino-3-(pentan-2-ylamino)benzamide

2-amino-3-(pentan-2-ylamino)benzamide (PubChem CID 115544249) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-(pentan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(pentan-2-ylamino)benzamide
PubChem CID115544249
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O/c1-3-5-8(2)15-10-7-4-6-9(11(10)13)12(14)16/h4,6-8,15H,3,5,13H2,1-2H3,(H2,14,16)
InChIKeyVXOMDPXJKKKPKB-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

2-amino-3-(pentan-2-ylamino)benzoic acid
CID 115544247
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
3-amino-2-(pentan-2-ylamino)benzamide
CID 112577695
methyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 113332721
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
ethyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 115545216
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
3-chloro-1-N-pentan-2-ylbenzene-1,2-diamine
CID 104833946
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
2-amino-3-(hexan-3-ylamino)benzoic acid
CID 115545796
2-(1-aminopropan-2-ylamino)benzamide
CID 63733598

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pentan-2-ylamino)benzamide?
The IUPAC name of 2-amino-3-(pentan-2-ylamino)benzamide (CID 115544249) is 2-amino-3-(pentan-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-3-(pentan-2-ylamino)benzamide?
The canonical SMILES for 2-amino-3-(pentan-2-ylamino)benzamide is CCCC(C)Nc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(pentan-2-ylamino)benzamide?
The InChIKey is VXOMDPXJKKKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-8(2)15-10-7-4-6-9(11(10)13)12(14)16/h4,6-8,15H,3,5,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-3-(pentan-2-ylamino)benzamide?
2-amino-3-(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 2-amino-3-(pentan-2-ylamino)benzamide is sourced from PubChem (CID 115544249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).