N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide

C16H19NO2 — CID 63994001

IUPACN-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C16H19NO2/c1-12(11-14-4-5-14)17-16(19)15-8-6-13(7-9-15)3-2-10-18/h6-9,12,14,18H,4-5,10-11H2,1H3,(H,17,19)
InChIKeyYIJHUQDARCBCOI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.95
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide

N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 63994001) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID63994001
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C16H19NO2/c1-12(11-14-4-5-14)17-16(19)15-8-6-13(7-9-15)3-2-10-18/h6-9,12,14,18H,4-5,10-11H2,1H3,(H,17,19)
InChIKeyYIJHUQDARCBCOI-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide (CID 63994001) is N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide is CC(CC1CC1)NC(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is YIJHUQDARCBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(11-14-4-5-14)17-16(19)15-8-6-13(7-9-15)3-2-10-18/h6-9,12,14,18H,4-5,10-11H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 63994001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).