2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

C17H21NO2 — CID 63858720

IUPAC2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1ccccc1C#CCCO
InChIInChI=1S/C17H21NO2/c1-13-11-15(13)12-18(2)17(20)16-9-4-3-7-14(16)8-5-6-10-19/h3-4,7,9,13,15,19H,6,10-12H2,1-2H3
InChIKeyFKVTXGAIYMVXJP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 63858720) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID63858720
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1ccccc1C#CCCO
InChIInChI=1S/C17H21NO2/c1-13-11-15(13)12-18(2)17(20)16-9-4-3-7-14(16)8-5-6-10-19/h3-4,7,9,13,15,19H,6,10-12H2,1-2H3
InChIKeyFKVTXGAIYMVXJP-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858718
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylbutyl)benzamide
CID 61429076
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 66484044
2-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60817182
N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64522020
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960510
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921983

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 63858720) is 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is CC1CC1CN(C)C(=O)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is FKVTXGAIYMVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-11-15(13)12-18(2)17(20)16-9-4-3-7-14(16)8-5-6-10-19/h3-4,7,9,13,15,19H,6,10-12H2,1-2H3.
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 63858720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).