3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C16H19NO3 — CID 61433728

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C16H19NO3/c1-17(12-15-8-4-10-20-15)16(19)14-7-2-5-13(11-14)6-3-9-18/h2,5,7,11,15,18H,4,8-10,12H2,1H3
InChIKeySCVZBSGKCUEIIN-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61433728) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61433728
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C16H19NO3/c1-17(12-15-8-4-10-20-15)16(19)14-7-2-5-13(11-14)6-3-9-18/h2,5,7,11,15,18H,4,8-10,12H2,1H3
InChIKeySCVZBSGKCUEIIN-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112663392
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 61433728) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1cccc(C#CCO)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SCVZBSGKCUEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(12-15-8-4-10-20-15)16(19)14-7-2-5-13(11-14)6-3-9-18/h2,5,7,11,15,18H,4,8-10,12H2,1H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 273.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61433728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).