N-methyl-4-prop-1-ynylbenzamide

C11H11NO — CID 126551972

IUPACN-methyl-4-prop-1-ynylbenzamide
SMILESCC#Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C11H11NO/c1-3-4-9-5-7-10(8-6-9)11(13)12-2/h5-8H,1-2H3,(H,12,13)
InChIKeyDFTZEZAGHYMILY-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.42
Rot. Bonds1

About N-methyl-4-prop-1-ynylbenzamide

N-methyl-4-prop-1-ynylbenzamide (PubChem CID 126551972) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-methyl-4-prop-1-ynylbenzamide.

Molecular Properties

Compound NameN-methyl-4-prop-1-ynylbenzamide
PubChem CID126551972
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-methyl-4-prop-1-ynylbenzamide
SMILESCC#Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C11H11NO/c1-3-4-9-5-7-10(8-6-9)11(13)12-2/h5-8H,1-2H3,(H,12,13)
InChIKeyDFTZEZAGHYMILY-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-(2-trimethylsilylethynyl)benzamide
CID 68847986
4-ethynyl-N-methylbenzamide
CID 14596430
ethane;4-ethynyl-N-methylbenzamide
CID 178156727
4-(3-cyanoprop-1-ynyl)-N-methylbenzamide
CID 170475275
N,N-dimethyl-4-prop-1-ynylbenzamide
CID 89195364
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
N-methylbenzamide
CID 11954
N-methyl-3-nitro-4-prop-1-ynylbenzamide
CID 57331532
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
4-hydrazinyl-N-methylbenzamide
CID 20649402
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-1-ynylbenzamide?
The IUPAC name of N-methyl-4-prop-1-ynylbenzamide (CID 126551972) is N-methyl-4-prop-1-ynylbenzamide.
What is the SMILES notation for N-methyl-4-prop-1-ynylbenzamide?
The canonical SMILES for N-methyl-4-prop-1-ynylbenzamide is CC#Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-prop-1-ynylbenzamide?
The InChIKey is DFTZEZAGHYMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-4-9-5-7-10(8-6-9)11(13)12-2/h5-8H,1-2H3,(H,12,13).
What are the key properties of N-methyl-4-prop-1-ynylbenzamide?
N-methyl-4-prop-1-ynylbenzamide has a molecular weight of 173.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-1-ynylbenzamide is sourced from PubChem (CID 126551972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).