4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide

C16H20N2O2 — CID 60820586

IUPAC4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
SMILESNCC#Cc1ccc(C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H20N2O2/c17-11-1-2-12-3-5-13(6-4-12)16(20)18-14-7-9-15(19)10-8-14/h3-6,14-15,19H,7-11,17H2,(H,18,20)
InChIKeyXHLKMSFTOUOLGO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.03
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide

4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 60820586) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
PubChem CID60820586
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
SMILESNCC#Cc1ccc(C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H20N2O2/c17-11-1-2-12-3-5-13(6-4-12)16(20)18-14-7-9-15(19)10-8-14/h3-6,14-15,19H,7-11,17H2,(H,18,20)
InChIKeyXHLKMSFTOUOLGO-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79872322
4-(3-aminoprop-1-ynyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80721102
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
CID 79990036
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768272
4-cyclohexyl-N-(4-hydroxycyclohexyl)benzamide
CID 78790783

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide (CID 60820586) is 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide is NCC#Cc1ccc(C(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is XHLKMSFTOUOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-11-1-2-12-3-5-13(6-4-12)16(20)18-14-7-9-15(19)10-8-14/h3-6,14-15,19H,7-11,17H2,(H,18,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 60820586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).