3-(but-3-ynylamino)-N-propylpropanamide

C10H18N2O — CID 63656268

IUPAC3-(but-3-ynylamino)-N-propylpropanamide
SMILESC#CCCNCCC(=O)NCCC
InChIInChI=1S/C10H18N2O/c1-3-5-8-11-9-6-10(13)12-7-4-2/h1,11H,4-9H2,2H3,(H,12,13)
InChIKeySMNKHNMVGZTOEW-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.52
Rot. Bonds7

About 3-(but-3-ynylamino)-N-propylpropanamide

3-(but-3-ynylamino)-N-propylpropanamide (PubChem CID 63656268) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(but-3-ynylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(but-3-ynylamino)-N-propylpropanamide
PubChem CID63656268
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(but-3-ynylamino)-N-propylpropanamide
SMILESC#CCCNCCC(=O)NCCC
InChIInChI=1S/C10H18N2O/c1-3-5-8-11-9-6-10(13)12-7-4-2/h1,11H,4-9H2,2H3,(H,12,13)
InChIKeySMNKHNMVGZTOEW-UHFFFAOYSA-N
XLogP0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
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-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide
CID 170526590
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
N-but-3-ynylhex-5-ynamide
CID 10630847
3-(but-3-ynylamino)-N,N-dimethylpropanamide
CID 63656065
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
CID 58040564
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
N,N'-dipropyldecanediamide
CID 102239298

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-ynylamino)-N-propylpropanamide?
The IUPAC name of 3-(but-3-ynylamino)-N-propylpropanamide (CID 63656268) is 3-(but-3-ynylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(but-3-ynylamino)-N-propylpropanamide?
The canonical SMILES for 3-(but-3-ynylamino)-N-propylpropanamide is C#CCCNCCC(=O)NCCC.
What is the InChIKey of 3-(but-3-ynylamino)-N-propylpropanamide?
The InChIKey is SMNKHNMVGZTOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-8-11-9-6-10(13)12-7-4-2/h1,11H,4-9H2,2H3,(H,12,13).
What are the key properties of 3-(but-3-ynylamino)-N-propylpropanamide?
3-(but-3-ynylamino)-N-propylpropanamide has a molecular weight of 182.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-ynylamino)-N-propylpropanamide is sourced from PubChem (CID 63656268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).