2-(dimethylamino)-N-propylbut-2-enamide

C9H18N2O — CID 54117770

IUPAC2-(dimethylamino)-N-propylbut-2-enamide
SMILESCC=C(C(=O)NCCC)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-7-10-9(12)8(6-2)11(3)4/h6H,5,7H2,1-4H3,(H,10,12)
InChIKeyNLNYPFHDTLMQJX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.98
Rot. Bonds4

About 2-(dimethylamino)-N-propylbut-2-enamide

2-(dimethylamino)-N-propylbut-2-enamide (PubChem CID 54117770) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(dimethylamino)-N-propylbut-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-propylbut-2-enamide
PubChem CID54117770
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(dimethylamino)-N-propylbut-2-enamide
SMILESCC=C(C(=O)NCCC)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-7-10-9(12)8(6-2)11(3)4/h6H,5,7H2,1-4H3,(H,10,12)
InChIKeyNLNYPFHDTLMQJX-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
(Z)-2-acetamido-N-methylbut-2-enamide
CID 15337749
2-(dimethyl maleimido)-N-ethyl-acrylamide
CID 89310859
N~2~-methyl-N~1~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-L-alaninamide
CID 91828411
(Z)-3-amino-N-ethyl-2-(methylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enamide
CID 139506842
6-Fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one
CID 153486265

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-propylbut-2-enamide?
The IUPAC name of 2-(dimethylamino)-N-propylbut-2-enamide (CID 54117770) is 2-(dimethylamino)-N-propylbut-2-enamide.
What is the SMILES notation for 2-(dimethylamino)-N-propylbut-2-enamide?
The canonical SMILES for 2-(dimethylamino)-N-propylbut-2-enamide is CC=C(C(=O)NCCC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-propylbut-2-enamide?
The InChIKey is NLNYPFHDTLMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-7-10-9(12)8(6-2)11(3)4/h6H,5,7H2,1-4H3,(H,10,12).
What are the key properties of 2-(dimethylamino)-N-propylbut-2-enamide?
2-(dimethylamino)-N-propylbut-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-propylbut-2-enamide is sourced from PubChem (CID 54117770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).