(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide

C16H30N2O2 — CID 167152134

IUPAC(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide
SMILESCCCCC(C)(CC)C(=O)CNC(=O)/C=C/CN(C)C
InChIInChI=1S/C16H30N2O2/c1-6-8-11-16(3,7-2)14(19)13-17-15(20)10-9-12-18(4)5/h9-10H,6-8,11-13H2,1-5H3,(H,17,20)/b10-9+
InChIKeyLTWGSGHHNGIVOI-MDZDMXLPSA-N
MW282.43 g/mol
LogP2.40
Rot. Bonds10

About (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide

(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide (PubChem CID 167152134) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide
PubChem CID167152134
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide
SMILESCCCCC(C)(CC)C(=O)CNC(=O)/C=C/CN(C)C
InChIInChI=1S/C16H30N2O2/c1-6-8-11-16(3,7-2)14(19)13-17-15(20)10-9-12-18(4)5/h9-10H,6-8,11-13H2,1-5H3,(H,17,20)/b10-9+
InChIKeyLTWGSGHHNGIVOI-MDZDMXLPSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-(2,2-dimethylpentyl)but-2-enamide
CID 129167692
(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one
CID 126550718
(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
CID 142551928
(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide
CID 139476661
(E)-N-(azetidin-3-ylmethyl)-4-(dimethylamino)but-2-enamide
CID 178119672
N-(2-hydroxy-2-methylhexyl)octadeca-2,6,8,10,12-pentaenamide
CID 152556040
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
(2R)-2-ethyl-2-methylhexanoate
CID 86308625
N-tert-butyl-2-ethyl-2-methylhexanamide
CID 146411812
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide
CID 151325633

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide (CID 167152134) is (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide is CCCCC(C)(CC)C(=O)CNC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide?
The InChIKey is LTWGSGHHNGIVOI-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-11-16(3,7-2)14(19)13-17-15(20)10-9-12-18(4)5/h9-10H,6-8,11-13H2,1-5H3,(H,17,20)/b10-9+.
What are the key properties of (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide has a molecular weight of 282.43 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide is sourced from PubChem (CID 167152134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).