N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

C15H26N2O2 — CID 102788921

IUPACN-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CCC(C)C1CO
InChIInChI=1S/C15H26N2O2/c1-5-15(6-2,7-3)16-14(19)10-17-9-8-12(4)13(17)11-18/h1,12-13,18H,6-11H2,2-4H3,(H,16,19)
InChIKeyQKANELBZGKTKSN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.00
Rot. Bonds6

About N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide

N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (PubChem CID 102788921) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
PubChem CID102788921
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CCC(C)C1CO
InChIInChI=1S/C15H26N2O2/c1-5-15(6-2,7-3)16-14(19)10-17-9-8-12(4)13(17)11-18/h1,12-13,18H,6-11H2,2-4H3,(H,16,19)
InChIKeyQKANELBZGKTKSN-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785252
N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787643
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 102788580
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 63595882
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936046
2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 65249512
2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
CID 143903152
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
N-(3-ethylpent-1-yn-3-yl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267637
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 81460905

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide (CID 102788921) is N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is C#CC(CC)(CC)NC(=O)CN1CCC(C)C1CO.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
The InChIKey is QKANELBZGKTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-15(6-2,7-3)16-14(19)10-17-9-8-12(4)13(17)11-18/h1,12-13,18H,6-11H2,2-4H3,(H,16,19).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide?
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide has a molecular weight of 266.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 102788921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).