N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C15H17NO2 — CID 114109304

IUPACN-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCC1CC1NC(=O)c1ccccc1C#CCO
InChIInChI=1S/C15H17NO2/c1-2-11-10-14(11)16-15(18)13-8-4-3-6-12(13)7-5-9-17/h3-4,6,8,11,14,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyKOJHHRJSBVOKLB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds3

About N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 114109304) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID114109304
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCC1CC1NC(=O)c1ccccc1C#CCO
InChIInChI=1S/C15H17NO2/c1-2-11-10-14(11)16-15(18)13-8-4-3-6-12(13)7-5-9-17/h3-4,6,8,11,14,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyKOJHHRJSBVOKLB-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
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

2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 64741251
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
N-(2-ethylcyclopropyl)benzamide
CID 103669419
N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 54921802
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide
CID 114109641
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
N-(2-ethylcyclopropyl)-1H-indole-4-carboxamide
CID 103721300
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 114109304) is N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide is CCC1CC1NC(=O)c1ccccc1C#CCO.
What is the InChIKey of N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is KOJHHRJSBVOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-11-10-14(11)16-15(18)13-8-4-3-6-12(13)7-5-9-17/h3-4,6,8,11,14,17H,2,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 114109304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).