2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide

C12H19N3O — CID 82946038

IUPAC2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCC(CN(C)C)NC(=O)c1ccccc1N
InChIInChI=1S/C12H19N3O/c1-9(8-15(2)3)14-12(16)10-6-4-5-7-11(10)13/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyKNVNEKDRUVVSGE-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.95
Rot. Bonds4

About 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide

2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide (PubChem CID 82946038) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
PubChem CID82946038
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCC(CN(C)C)NC(=O)c1ccccc1N
InChIInChI=1S/C12H19N3O/c1-9(8-15(2)3)14-12(16)10-6-4-5-7-11(10)13/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyKNVNEKDRUVVSGE-UHFFFAOYSA-N
XLogP0.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.95
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-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
2-amino-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide;sulfane
CID 158216878
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115747545
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 122448607
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide (CID 82946038) is 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide is CC(CN(C)C)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide?
The InChIKey is KNVNEKDRUVVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(8-15(2)3)14-12(16)10-6-4-5-7-11(10)13/h4-7,9H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide?
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide has a molecular weight of 221.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 82946038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).