2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide

C18H23NO2 — CID 83150092

IUPAC2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CC1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C18H23NO2/c1-13(16-10-11-16)18(21)19-14(2)17-8-6-15(7-9-17)5-3-4-12-20/h6-9,13-14,16,20H,4,10-12H2,1-2H3,(H,19,21)
InChIKeyRQGDWUGOZRFRIR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.64
Rot. Bonds5

About 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide

2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide (PubChem CID 83150092) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide
PubChem CID83150092
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CC1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C18H23NO2/c1-13(16-10-11-16)18(21)19-14(2)17-8-6-15(7-9-17)5-3-4-12-20/h6-9,13-14,16,20H,4,10-12H2,1-2H3,(H,19,21)
InChIKeyRQGDWUGOZRFRIR-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.64
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

(E)-3-[4-[1-(2-cyclopropylpropanoylamino)ethyl]phenyl]prop-2-enoic acid
CID 83150230
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103165283
2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 83149306
3-[4-[1-(cyclopropylsulfamoylamino)ethyl]phenyl]prop-2-yn-1-ol
CID 114811831
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 54921713
2-methylpropyl 4-(4-hydroxybut-1-ynyl)benzoate
CID 68845782
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 141298462
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
N-[1-[4-(3-hydroxyprop-1-ynyl)phenyl]ethyl]thiadiazole-4-carboxamide
CID 65216183
N-[(1S)-1-[4-[2-[2-(cyclopropylmethyl)pyrimidin-5-yl]ethynyl]phenyl]ethyl]acetamide
CID 162016935

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide (CID 83150092) is 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide is CC(NC(=O)C(C)C1CC1)c1ccc(C#CCCO)cc1.
What is the InChIKey of 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide?
The InChIKey is RQGDWUGOZRFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(16-10-11-16)18(21)19-14(2)17-8-6-15(7-9-17)5-3-4-12-20/h6-9,13-14,16,20H,4,10-12H2,1-2H3,(H,19,21).
What are the key properties of 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide?
2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 83150092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).