N,N-dimethyl-2-(prop-2-ynylamino)benzamide

C12H14N2O — CID 63953084

IUPACN,N-dimethyl-2-(prop-2-ynylamino)benzamide
SMILESC#CCNc1ccccc1C(=O)N(C)C
InChIInChI=1S/C12H14N2O/c1-4-9-13-11-8-6-5-7-10(11)12(15)14(2)3/h1,5-8,13H,9H2,2-3H3
InChIKeyBTDZDOIYJWUQCM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.43
Rot. Bonds3

About N,N-dimethyl-2-(prop-2-ynylamino)benzamide

N,N-dimethyl-2-(prop-2-ynylamino)benzamide (PubChem CID 63953084) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(prop-2-ynylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(prop-2-ynylamino)benzamide
PubChem CID63953084
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN,N-dimethyl-2-(prop-2-ynylamino)benzamide
SMILESC#CCNc1ccccc1C(=O)N(C)C
InChIInChI=1S/C12H14N2O/c1-4-9-13-11-8-6-5-7-10(11)12(15)14(2)3/h1,5-8,13H,9H2,2-3H3
InChIKeyBTDZDOIYJWUQCM-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(prop-2-ynylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(prop-2-ynylamino)benzamide
CID 130634693
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-formamido-N,N-dimethylbenzamide
CID 64992505
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide
CID 107441753
N,N-dimethyl-2-(2-methylanilino)benzamide
CID 11402568
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
N-[2-(dimethylamino)-2-oxoethyl]-2-(ethylamino)-N-methylbenzamide
CID 55176895
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62755607

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(prop-2-ynylamino)benzamide?
The IUPAC name of N,N-dimethyl-2-(prop-2-ynylamino)benzamide (CID 63953084) is N,N-dimethyl-2-(prop-2-ynylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(prop-2-ynylamino)benzamide?
The canonical SMILES for N,N-dimethyl-2-(prop-2-ynylamino)benzamide is C#CCNc1ccccc1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(prop-2-ynylamino)benzamide?
The InChIKey is BTDZDOIYJWUQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-9-13-11-8-6-5-7-10(11)12(15)14(2)3/h1,5-8,13H,9H2,2-3H3.
What are the key properties of N,N-dimethyl-2-(prop-2-ynylamino)benzamide?
N,N-dimethyl-2-(prop-2-ynylamino)benzamide has a molecular weight of 202.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(prop-2-ynylamino)benzamide is sourced from PubChem (CID 63953084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).