methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate

C15H26N2O3 — CID 143937772

IUPACmethyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate
SMILESC/C=C\C=C(/C)C(C)N(CCN(C)C(C)=O)C(=O)OC
InChIInChI=1S/C15H26N2O3/c1-7-8-9-12(2)13(3)17(15(19)20-6)11-10-16(5)14(4)18/h7-9,13H,10-11H2,1-6H3/b8-7-,12-9+
InChIKeyLHOJLPNEFRXUOE-HVTAIUIQSA-N
MW282.38 g/mol
LogP2.44
Rot. Bonds6

About methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate

methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate (PubChem CID 143937772) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate
PubChem CID143937772
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate
SMILESC/C=C\C=C(/C)C(C)N(CCN(C)C(C)=O)C(=O)OC
InChIInChI=1S/C15H26N2O3/c1-7-8-9-12(2)13(3)17(15(19)20-6)11-10-16(5)14(4)18/h7-9,13H,10-11H2,1-6H3/b8-7-,12-9+
InChIKeyLHOJLPNEFRXUOE-HVTAIUIQSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[acetyl(methyl)amino]ethyl]-N-ethylcarbamate
CID 143677882
N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide
CID 143012155
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
CID 168941081
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 156837141
N-(2-chloroethyl)-N-methylacetamide
CID 63391485
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
methyl N-methyl-N-(3-oxobutan-2-yl)carbamate
CID 59582321
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
N-[2-(diiodoamino)ethyl]-N-methylacetamide
CID 167185842
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
CID 110481075

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate?
The IUPAC name of methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate (CID 143937772) is methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate.
What is the SMILES notation for methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate?
The canonical SMILES for methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate is C/C=C\C=C(/C)C(C)N(CCN(C)C(C)=O)C(=O)OC.
What is the InChIKey of methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate?
The InChIKey is LHOJLPNEFRXUOE-HVTAIUIQSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-7-8-9-12(2)13(3)17(15(19)20-6)11-10-16(5)14(4)18/h7-9,13H,10-11H2,1-6H3/b8-7-,12-9+.
What are the key properties of methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate?
methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[acetyl(methyl)amino]ethyl]-N-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]carbamate is sourced from PubChem (CID 143937772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).