1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone

C17H29NO2 — CID 144515558

IUPAC1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
SMILESCOC1/C=C/CCCCCN(C(C)=O)C/C(C)=C\CC1
InChIInChI=1S/C17H29NO2/c1-15-10-9-12-17(20-3)11-7-5-4-6-8-13-18(14-15)16(2)19/h7,10-11,17H,4-6,8-9,12-14H2,1-3H3/b11-7+,15-10-
InChIKeyNLTYIGLJDXQGRY-OVJOMLMPSA-N
MW279.42 g/mol
LogP3.71
Rot. Bonds1

About 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone

1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone (PubChem CID 144515558) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
PubChem CID144515558
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
SMILESCOC1/C=C/CCCCCN(C(C)=O)C/C(C)=C\CC1
InChIInChI=1S/C17H29NO2/c1-15-10-9-12-17(20-3)11-7-5-4-6-8-13-18(14-15)16(2)19/h7,10-11,17H,4-6,8-9,12-14H2,1-3H3/b11-7+,15-10-
InChIKeyNLTYIGLJDXQGRY-OVJOMLMPSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone with MolForge

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Related Compounds

N,2-dimethyl-N-(7-propan-2-yloxyhept-5-enyl)propanamide
CID 124014014
(7E,9R,11S,12Z)-1-ethyl-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 144515515
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(7E,12Z)-9-methoxy-1,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 144515547
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide
CID 143991080

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone?
The IUPAC name of 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone (CID 144515558) is 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone.
What is the SMILES notation for 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone?
The canonical SMILES for 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone is COC1/C=C/CCCCCN(C(C)=O)C/C(C)=C\CC1.
What is the InChIKey of 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone?
The InChIKey is NLTYIGLJDXQGRY-OVJOMLMPSA-N. The full InChI is InChI=1S/C17H29NO2/c1-15-10-9-12-17(20-3)11-7-5-4-6-8-13-18(14-15)16(2)19/h7,10-11,17H,4-6,8-9,12-14H2,1-3H3/b11-7+,15-10-.
What are the key properties of 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone?
1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone has a molecular weight of 279.42 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone is sourced from PubChem (CID 144515558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).