3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide

C15H17NO2 — CID 113485875

IUPAC3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1cc(C#CCO)cc(C(=O)NC2(C)CC2)c1
InChIInChI=1S/C15H17NO2/c1-11-8-12(4-3-7-17)10-13(9-11)14(18)16-15(2)5-6-15/h8-10,17H,5-7H2,1-2H3,(H,16,18)
InChIKeyPTTGTTZMERREJK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.62
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 113485875) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID113485875
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1cc(C#CCO)cc(C(=O)NC2(C)CC2)c1
InChIInChI=1S/C15H17NO2/c1-11-8-12(4-3-7-17)10-13(9-11)14(18)16-15(2)5-6-15/h8-10,17H,5-7H2,1-2H3,(H,16,18)
InChIKeyPTTGTTZMERREJK-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.62
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

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106217813
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-5-methylbenzamide
CID 115999776
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-pentylbenzamide
CID 115999826
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
ethyl 2-[[3-(3-hydroxyprop-1-ynyl)-5-methylbenzoyl]amino]acetate
CID 115999968
azepan-1-yl-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999799
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106258823
3-(4-hydroxybut-1-ynyl)-5-methyl-N-propan-2-ylbenzamide
CID 115999769
3-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 115999918
N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 115999982
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 115999998

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide (CID 113485875) is 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide is Cc1cc(C#CCO)cc(C(=O)NC2(C)CC2)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is PTTGTTZMERREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-8-12(4-3-7-17)10-13(9-11)14(18)16-15(2)5-6-15/h8-10,17H,5-7H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide?
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 113485875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).