N,N-dimethyl-4-prop-1-ynylbenzamide

C12H13NO — CID 89195364

IUPACN,N-dimethyl-4-prop-1-ynylbenzamide
SMILESCC#Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C12H13NO/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6-9H,1-3H3
InChIKeyKILNLXKSUOKNNC-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.76
Rot. Bonds1

About N,N-dimethyl-4-prop-1-ynylbenzamide

N,N-dimethyl-4-prop-1-ynylbenzamide (PubChem CID 89195364) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N,N-dimethyl-4-prop-1-ynylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-prop-1-ynylbenzamide
PubChem CID89195364
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN,N-dimethyl-4-prop-1-ynylbenzamide
SMILESCC#Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C12H13NO/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6-9H,1-3H3
InChIKeyKILNLXKSUOKNNC-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-prop-1-ynylbenzamide
CID 126551972
4-[2-(4-ethynyl-1-bicyclo[2.2.2]octanyl)ethynyl]-N,N-dimethylbenzamide
CID 132605228
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide
CID 137364510
methyl 4-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90549974
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90550067
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
4-arsoroso-N,N-dimethylbenzamide
CID 3027013
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
4-amino-N,N-dimethylbenzamide;ethanethial
CID 142936880
4-[3-(butylsulfonylamino)prop-1-ynyl]-N,N-dimethylbenzamide
CID 90553574

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-prop-1-ynylbenzamide?
The IUPAC name of N,N-dimethyl-4-prop-1-ynylbenzamide (CID 89195364) is N,N-dimethyl-4-prop-1-ynylbenzamide.
What is the SMILES notation for N,N-dimethyl-4-prop-1-ynylbenzamide?
The canonical SMILES for N,N-dimethyl-4-prop-1-ynylbenzamide is CC#Cc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-prop-1-ynylbenzamide?
The InChIKey is KILNLXKSUOKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6-9H,1-3H3.
What are the key properties of N,N-dimethyl-4-prop-1-ynylbenzamide?
N,N-dimethyl-4-prop-1-ynylbenzamide has a molecular weight of 187.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-prop-1-ynylbenzamide is sourced from PubChem (CID 89195364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).