5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate

C15H25NO4 — CID 88928519

IUPAC5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate
SMILESCCC(=C=C(C)C)OC(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C15H25NO4/c1-7-13(8-11(2)3)20-14(17)9-16(6)15(18)19-10-12(4)5/h12H,7,9-10H2,1-6H3
InChIKeyFFUUWZBURHORDT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.11
Rot. Bonds6

About 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate

5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate (PubChem CID 88928519) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate.

Molecular Properties

Compound Name5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate
PubChem CID88928519
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate
SMILESCCC(=C=C(C)C)OC(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C15H25NO4/c1-7-13(8-11(2)3)20-14(17)9-16(6)15(18)19-10-12(4)5/h12H,7,9-10H2,1-6H3
InChIKeyFFUUWZBURHORDT-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-methyl-N-(2-methylprop-2-enyl)carbamate
CID 162502181
2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
CID 165163871
2-methylpropyl N-(2-chloroethyl)-N-methylcarbamate
CID 106441648
2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831
1-ethyl-1-methyl-3-(2-methylpropoxy)urea
CID 115752940
2-methylpropyl N-ethylsulfanyl-N-(2-methylpropyl)carbamate
CID 23221481
2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate
CID 87723384
2-methylpropyl 2-[tert-butyl(methyl)amino]acetate
CID 163600219
2-methylpropyl acetate;hydrate
CID 86585368
2-methylpropyl N,N-dibutylcarbamate;bis(2-methylpropyl N,N-diethylcarbamate);2-methylpropyl N,N-dihexylcarbamate;decakis(2-methylpropyl N-ethyl-N-methylcarbamate)
CID 158324983
3-methylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863232
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587

Frequently Asked Questions

What is the IUPAC name of 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate?
The IUPAC name of 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate (CID 88928519) is 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate.
What is the SMILES notation for 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate?
The canonical SMILES for 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate is CCC(=C=C(C)C)OC(=O)CN(C)C(=O)OCC(C)C.
What is the InChIKey of 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate?
The InChIKey is FFUUWZBURHORDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-7-13(8-11(2)3)20-14(17)9-16(6)15(18)19-10-12(4)5/h12H,7,9-10H2,1-6H3.
What are the key properties of 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate?
5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate has a molecular weight of 283.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexa-3,4-dien-3-yl 2-[methyl(2-methylpropoxycarbonyl)amino]acetate is sourced from PubChem (CID 88928519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).