(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide

C16H28N2O2 — CID 130380848

IUPAC(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide
SMILESC=CC(=O)NCCC(C)C/C=C(\C)C(=O)NCC(C)C
InChIInChI=1S/C16H28N2O2/c1-6-15(19)17-10-9-13(4)7-8-14(5)16(20)18-11-12(2)3/h6,8,12-13H,1,7,9-11H2,2-5H3,(H,17,19)(H,18,20)/b14-8+
InChIKeyYPVITSXWOHUMNH-RIYZIHGNSA-N
MW280.41 g/mol
LogP2.42
Rot. Bonds9

About (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide

(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide (PubChem CID 130380848) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide.

Molecular Properties

Compound Name(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide
PubChem CID130380848
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide
SMILESC=CC(=O)NCCC(C)C/C=C(\C)C(=O)NCC(C)C
InChIInChI=1S/C16H28N2O2/c1-6-15(19)17-10-9-13(4)7-8-14(5)16(20)18-11-12(2)3/h6,8,12-13H,1,7,9-11H2,2-5H3,(H,17,19)(H,18,20)/b14-8+
InChIKeyYPVITSXWOHUMNH-RIYZIHGNSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
acetic acid;tris(N-[3-[4-(prop-2-enoylamino)butan-2-ylamino]butyl]prop-2-enamide)
CID 173123215
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
N-[3-[prop-2-enoyl(propyl)amino]butyl]prop-2-enamide
CID 134438406
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide?
The IUPAC name of (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide (CID 130380848) is (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide.
What is the SMILES notation for (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide?
The canonical SMILES for (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide is C=CC(=O)NCCC(C)C/C=C(\C)C(=O)NCC(C)C.
What is the InChIKey of (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide?
The InChIKey is YPVITSXWOHUMNH-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-15(19)17-10-9-13(4)7-8-14(5)16(20)18-11-12(2)3/h6,8,12-13H,1,7,9-11H2,2-5H3,(H,17,19)(H,18,20)/b14-8+.
What are the key properties of (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide?
(E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide has a molecular weight of 280.41 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethyl-N-(2-methylpropyl)-7-(prop-2-enoylamino)hept-2-enamide is sourced from PubChem (CID 130380848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).