4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide

C9H18N2O — CID 123403461

IUPAC4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
SMILESCCN(C)C(=O)C=CCN(C)C
InChIInChI=1S/C9H18N2O/c1-5-11(4)9(12)7-6-8-10(2)3/h6-7H,5,8H2,1-4H3
InChIKeyGXWHVZOZINJFHO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.58
Rot. Bonds4

About 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide

4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide (PubChem CID 123403461) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
PubChem CID123403461
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
SMILESCCN(C)C(=O)C=CCN(C)C
InChIInChI=1S/C9H18N2O/c1-5-11(4)9(12)7-6-8-10(2)3/h6-7H,5,8H2,1-4H3
InChIKeyGXWHVZOZINJFHO-UHFFFAOYSA-N
XLogP0.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-N-ethyl-N-methylprop-2-enamide
CID 174919518
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide
CID 126513992
(Z)-4-(dimethylamino)-N-(1-iodoethyl)-N-(2-methylpropyl)but-2-enamide
CID 130272016
(E)-4-(dimethylamino)but-2-enamide;methane
CID 155781638
4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064
sodium;ethyl (E)-4-(dimethylamino)but-2-enoate;hydroxide
CID 174912002
N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide
CID 91044553
(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-(iodomethyl)but-2-enamide
CID 129132435
(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide
CID 126549464
(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide
CID 146098059

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide?
The IUPAC name of 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide (CID 123403461) is 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide.
What is the SMILES notation for 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide?
The canonical SMILES for 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide is CCN(C)C(=O)C=CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide?
The InChIKey is GXWHVZOZINJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-11(4)9(12)7-6-8-10(2)3/h6-7H,5,8H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide?
4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide is sourced from PubChem (CID 123403461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).