N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide

C12H20N2O2 — CID 102861804

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H20N2O2/c1-2-7-13-10-12(16)14(8-4-9-15)11-5-3-6-11/h1,11,13,15H,3-10H2
InChIKeyVJBCKNNKARBHMZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.03
Rot. Bonds7

About N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 102861804) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide
PubChem CID102861804
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H20N2O2/c1-2-7-13-10-12(16)14(8-4-9-15)11-5-3-6-11/h1,11,13,15H,3-10H2
InChIKeyVJBCKNNKARBHMZ-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide (CID 102861804) is N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is VJBCKNNKARBHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-7-13-10-12(16)14(8-4-9-15)11-5-3-6-11/h1,11,13,15H,3-10H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 224.30 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 102861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).