2,3-diamino-N,N-di(propan-2-yl)benzamide

C13H21N3O — CID 54534997

IUPAC2,3-diamino-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(N)c1N)C(C)C
InChIInChI=1S/C13H21N3O/c1-8(2)16(9(3)4)13(17)10-6-5-7-11(14)12(10)15/h5-9H,14-15H2,1-4H3
InChIKeyYZDXWNAKPHTPCZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds3

About 2,3-diamino-N,N-di(propan-2-yl)benzamide

2,3-diamino-N,N-di(propan-2-yl)benzamide (PubChem CID 54534997) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,3-diamino-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-diamino-N,N-di(propan-2-yl)benzamide
PubChem CID54534997
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,3-diamino-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(N)c1N)C(C)C
InChIInChI=1S/C13H21N3O/c1-8(2)16(9(3)4)13(17)10-6-5-7-11(14)12(10)15/h5-9H,14-15H2,1-4H3
InChIKeyYZDXWNAKPHTPCZ-UHFFFAOYSA-N
XLogP2.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
1-N,1-N,3-N,3-N-tetra(propan-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxamide
CID 102082053
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diamino-N,N-bis(4-amino-2-methylbutan-2-yl)benzamide
CID 70385195
1-(2,3-diaminophenyl)-2-phenylethane-1,2-dione
CID 18936582
1-(2,3-diaminophenyl)propan-1-one
CID 14773132
amino 2,3-diaminobenzoate
CID 66872276
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
CID 10379661
2,3-dioxo-N,N-di(propan-2-yl)-1,4-benzodioxine-5-carboxamide
CID 156790495
2,3-diaminobenzohydrazide
CID 54556928
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2,3-diamino-N,N-di(propan-2-yl)benzamide (CID 54534997) is 2,3-diamino-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2,3-diamino-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2,3-diamino-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1cccc(N)c1N)C(C)C.
What is the InChIKey of 2,3-diamino-N,N-di(propan-2-yl)benzamide?
The InChIKey is YZDXWNAKPHTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)16(9(3)4)13(17)10-6-5-7-11(14)12(10)15/h5-9H,14-15H2,1-4H3.
What are the key properties of 2,3-diamino-N,N-di(propan-2-yl)benzamide?
2,3-diamino-N,N-di(propan-2-yl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 54534997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).