N-methyl-2-(prop-2-ynylamino)benzamide

C11H12N2O — CID 130634693

IUPACN-methyl-2-(prop-2-ynylamino)benzamide
SMILESC#CCNc1ccccc1C(=O)NC
InChIInChI=1S/C11H12N2O/c1-3-8-13-10-7-5-4-6-9(10)11(14)12-2/h1,4-7,13H,8H2,2H3,(H,12,14)
InChIKeyLZFQIWJQCKPPIV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.09
Rot. Bonds3

About N-methyl-2-(prop-2-ynylamino)benzamide

N-methyl-2-(prop-2-ynylamino)benzamide (PubChem CID 130634693) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-2-(prop-2-ynylamino)benzamide.

Molecular Properties

Compound NameN-methyl-2-(prop-2-ynylamino)benzamide
PubChem CID130634693
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-methyl-2-(prop-2-ynylamino)benzamide
SMILESC#CCNc1ccccc1C(=O)NC
InChIInChI=1S/C11H12N2O/c1-3-8-13-10-7-5-4-6-9(10)11(14)12-2/h1,4-7,13H,8H2,2H3,(H,12,14)
InChIKeyLZFQIWJQCKPPIV-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
2-(3-methylsulfonylpropylamino)-N-prop-2-ynylbenzamide
CID 75427525
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
N-but-3-yn-2-yl-2-(ethylamino)benzamide
CID 114418246
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 26543694
2-(1,1-difluoroethyl)-N-methylbenzamide
CID 162577291
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
CID 78825596

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(prop-2-ynylamino)benzamide?
The IUPAC name of N-methyl-2-(prop-2-ynylamino)benzamide (CID 130634693) is N-methyl-2-(prop-2-ynylamino)benzamide.
What is the SMILES notation for N-methyl-2-(prop-2-ynylamino)benzamide?
The canonical SMILES for N-methyl-2-(prop-2-ynylamino)benzamide is C#CCNc1ccccc1C(=O)NC.
What is the InChIKey of N-methyl-2-(prop-2-ynylamino)benzamide?
The InChIKey is LZFQIWJQCKPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-8-13-10-7-5-4-6-9(10)11(14)12-2/h1,4-7,13H,8H2,2H3,(H,12,14).
What are the key properties of N-methyl-2-(prop-2-ynylamino)benzamide?
N-methyl-2-(prop-2-ynylamino)benzamide has a molecular weight of 188.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-ynylamino)benzamide is sourced from PubChem (CID 130634693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).