N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide

C11H20N2O — CID 112722315

IUPACN-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC)CCCC
InChIInChI=1S/C11H20N2O/c1-4-7-9-13(6-3)11(14)10-12-8-5-2/h2,12H,4,6-10H2,1,3H3
InChIKeyYKLIUOOAGNZFKK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds7

About N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide

N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide (PubChem CID 112722315) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide
PubChem CID112722315
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC)CCCC
InChIInChI=1S/C11H20N2O/c1-4-7-9-13(6-3)11(14)10-12-8-5-2/h2,12H,4,6-10H2,1,3H3
InChIKeyYKLIUOOAGNZFKK-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.86
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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Related Compounds

N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287756
N-butyl-N-ethylpentanamide
CID 4629847
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287495
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
1-(prop-2-ynylamino)undecan-2-one
CID 116589334
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 107479313
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
CID 79287392
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide (CID 112722315) is N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CC)CCCC.
What is the InChIKey of N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is YKLIUOOAGNZFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-9-13(6-3)11(14)10-12-8-5-2/h2,12H,4,6-10H2,1,3H3.
What are the key properties of N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide?
N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).