2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride

C18H25ClN2O2 — CID 154890561

IUPAC2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride
SMILESCCCN(CC#Cc1ccccc1)C(=O)CC1CNCCO1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-2-11-20(12-6-9-16-7-4-3-5-8-16)18(21)14-17-15-19-10-13-22-17;/h3-5,7-8,17,19H,2,10-15H2,1H3;1H
InChIKeyVAESTAQGKFKKPR-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.08
Rot. Bonds5

About 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride

2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride (PubChem CID 154890561) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride
PubChem CID154890561
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride
SMILESCCCN(CC#Cc1ccccc1)C(=O)CC1CNCCO1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-2-11-20(12-6-9-16-7-4-3-5-8-16)18(21)14-17-15-19-10-13-22-17;/h3-5,7-8,17,19H,2,10-15H2,1H3;1H
InChIKeyVAESTAQGKFKKPR-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-morpholin-2-yl-N-propylacetamide
CID 66433391
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-methyl-2-morpholin-2-yl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680862
methyl 2-[(2-morpholin-2-ylacetyl)-propylamino]acetate
CID 66429555
2-morpholin-2-yl-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741257
N-ethyl-2-morpholin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 66427854
N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66433370
N-(cyclopropylmethyl)-N-ethyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119784637
2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenylprop-2-ynyl)-N-propylacetamide
CID 46988459
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
N-methyl-N-[(2-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66433193

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride?
The IUPAC name of 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride (CID 154890561) is 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride is CCCN(CC#Cc1ccccc1)C(=O)CC1CNCCO1.Cl.
What is the InChIKey of 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride?
The InChIKey is VAESTAQGKFKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-2-11-20(12-6-9-16-7-4-3-5-8-16)18(21)14-17-15-19-10-13-22-17;/h3-5,7-8,17,19H,2,10-15H2,1H3;1H.
What are the key properties of 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride?
2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-N-(3-phenylprop-2-ynyl)-N-propylacetamide;hydrochloride is sourced from PubChem (CID 154890561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).