N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide

C15H29N3O — CID 79287756

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCN(CC)CC)CC(C)C
InChIInChI=1S/C15H29N3O/c1-6-9-16-12-15(19)18(13-14(4)5)11-10-17(7-2)8-3/h1,14,16H,7-13H2,2-5H3
InChIKeyZSWJOONVXLJROE-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.04
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287756) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287756
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCN(CC)CC)CC(C)C
InChIInChI=1S/C15H29N3O/c1-6-9-16-12-15(19)18(13-14(4)5)11-10-17(7-2)8-3/h1,14,16H,7-13H2,2-5H3
InChIKeyZSWJOONVXLJROE-UHFFFAOYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
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-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide (CID 79287756) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCN(CC)CC)CC(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is ZSWJOONVXLJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-9-16-12-15(19)18(13-14(4)5)11-10-17(7-2)8-3/h1,14,16H,7-13H2,2-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).