N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide

C13H22N2O2 — CID 79287573

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-2-8-14-11-13(17)15(9-10-16)12-6-4-3-5-7-12/h1,12,14,16H,3-11H2
InChIKeyAQVDCQQLLJPYJG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds6

About N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide

N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287573) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287573
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-2-8-14-11-13(17)15(9-10-16)12-6-4-3-5-7-12/h1,12,14,16H,3-11H2
InChIKeyAQVDCQQLLJPYJG-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide
CID 102861804
N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79286851
N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
CID 79286595
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
N-cyclobutyl-2-(dimethylamino)-N-(2-hydroxyethyl)acetamide
CID 102685214
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
N-cyclopentyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60953799
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684534

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide (CID 79287573) is N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is AQVDCQQLLJPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-8-14-11-13(17)15(9-10-16)12-6-4-3-5-7-12/h1,12,14,16H,3-11H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).