N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide

C11H20N2O2 — CID 112722354

IUPACN-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCCOC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-6-12-9-11(14)13-7-5-8-15-10(2)3/h1,10,12H,5-9H2,2-3H3,(H,13,14)
InChIKeySVRNWZBDSIUVGW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.14
Rot. Bonds8

About N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide

N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 112722354) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
PubChem CID112722354
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCCOC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-6-12-9-11(14)13-7-5-8-15-10(2)3/h1,10,12H,5-9H2,2-3H3,(H,13,14)
InChIKeySVRNWZBDSIUVGW-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.14
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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Related Compounds

N-butyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760079
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
(2R)-2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 83195053
4-methyl-6-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]hexanoic acid
CID 65289853
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
N-(2-ethoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286728
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide (CID 112722354) is N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCCOC(C)C.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is SVRNWZBDSIUVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-12-9-11(14)13-7-5-8-15-10(2)3/h1,10,12H,5-9H2,2-3H3,(H,13,14).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide?
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).