(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide

C18H34N2O — CID 146611805

IUPAC(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(C)CCCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C18H34N2O/c1-7-9-10-13-18(3,4)16-20(14-8-2)17(21)12-11-15-19(5)6/h8,11-12H,2,7,9-10,13-16H2,1,3-6H3/b12-11+
InChIKeyHSJXRQJQKCQLDM-VAWYXSNFSA-N
MW294.48 g/mol
LogP3.73
Rot. Bonds11

About (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide

(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide (PubChem CID 146611805) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide
PubChem CID146611805
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(C)CCCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C18H34N2O/c1-7-9-10-13-18(3,4)16-20(14-8-2)17(21)12-11-15-19(5)6/h8,11-12H,2,7,9-10,13-16H2,1,3-6H3/b12-11+
InChIKeyHSJXRQJQKCQLDM-VAWYXSNFSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide (CID 146611805) is (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide is C=CCN(CC(C)(C)CCCCC)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide?
The InChIKey is HSJXRQJQKCQLDM-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-9-10-13-18(3,4)16-20(14-8-2)17(21)12-11-15-19(5)6/h8,11-12H,2,7,9-10,13-16H2,1,3-6H3/b12-11+.
What are the key properties of (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide?
(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide has a molecular weight of 294.48 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 146611805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).