N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide

C16H19NO2 — CID 60816410

IUPACN-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1C#CCO)C1CC1
InChIInChI=1S/C16H19NO2/c1-2-11-17(14-9-10-14)16(19)15-8-4-3-6-13(15)7-5-12-18/h3-4,6,8,14,18H,2,9-12H2,1H3
InChIKeyPMTGVYFTAYHIOC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.05
Rot. Bonds4

About N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide

N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide (PubChem CID 60816410) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
PubChem CID60816410
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1C#CCO)C1CC1
InChIInChI=1S/C16H19NO2/c1-2-11-17(14-9-10-14)16(19)15-8-4-3-6-13(15)7-5-12-18/h3-4,6,8,14,18H,2,9-12H2,1H3
InChIKeyPMTGVYFTAYHIOC-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.05
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

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
N-(1-cyclopropylethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60815312
N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64522020
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921983
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 102868031
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81111948

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
The IUPAC name of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide (CID 60816410) is N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
The canonical SMILES for N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide is CCCN(C(=O)c1ccccc1C#CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
The InChIKey is PMTGVYFTAYHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-11-17(14-9-10-14)16(19)15-8-4-3-6-13(15)7-5-12-18/h3-4,6,8,14,18H,2,9-12H2,1H3.
What are the key properties of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide has a molecular weight of 257.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide is sourced from PubChem (CID 60816410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).