2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide

C15H17NO2 — CID 55031761

IUPAC2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide
SMILESO=C(CC1CC1)NCc1ccccc1C#CCO
InChIInChI=1S/C15H17NO2/c17-9-3-6-13-4-1-2-5-14(13)11-16-15(18)10-12-7-8-12/h1-2,4-5,12,17H,7-11H2,(H,16,18)
InChIKeyQHUDXCBPXGZZSI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.45
Rot. Bonds4

About 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide

2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide (PubChem CID 55031761) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide
PubChem CID55031761
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide
SMILESO=C(CC1CC1)NCc1ccccc1C#CCO
InChIInChI=1S/C15H17NO2/c17-9-3-6-13-4-1-2-5-14(13)11-16-15(18)10-12-7-8-12/h1-2,4-5,12,17H,7-11H2,(H,16,18)
InChIKeyQHUDXCBPXGZZSI-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.45
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

N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557434
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209891
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 65215157
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396
2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81318427
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
CID 54966873
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylsulfanylpropanamide
CID 54966871
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
CID 79156733
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide (CID 55031761) is 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide is O=C(CC1CC1)NCc1ccccc1C#CCO.
What is the InChIKey of 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide?
The InChIKey is QHUDXCBPXGZZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-9-3-6-13-4-1-2-5-14(13)11-16-15(18)10-12-7-8-12/h1-2,4-5,12,17H,7-11H2,(H,16,18).
What are the key properties of 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide?
2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55031761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).