N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide

C13H22N2O — CID 79286851

IUPACN-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C13H22N2O/c1-4-8-14-10-13(16)15(12-5-6-12)9-7-11(2)3/h1,11-12,14H,5-10H2,2-3H3
InChIKeyDZQRYHHLROEIMV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.25
Rot. Bonds7

About N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide

N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286851) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286851
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C13H22N2O/c1-4-8-14-10-13(16)15(12-5-6-12)9-7-11(2)3/h1,11-12,14H,5-10H2,2-3H3
InChIKeyDZQRYHHLROEIMV-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide (CID 79286851) is N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is DZQRYHHLROEIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-8-14-10-13(16)15(12-5-6-12)9-7-11(2)3/h1,11-12,14H,5-10H2,2-3H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide?
N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).