N-(6,7-dimethoxynona-4,6,8-trienyl)formamide

C12H19NO3 — CID 123880567

IUPACN-(6,7-dimethoxynona-4,6,8-trienyl)formamide
SMILESC=CC(OC)=C(C=CCCCNC=O)OC
InChIInChI=1S/C12H19NO3/c1-4-11(15-2)12(16-3)8-6-5-7-9-13-10-14/h4,6,8,10H,1,5,7,9H2,2-3H3,(H,13,14)
InChIKeyATSUQZZBCPIVMP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.76
Rot. Bonds9

About N-(6,7-dimethoxynona-4,6,8-trienyl)formamide

N-(6,7-dimethoxynona-4,6,8-trienyl)formamide (PubChem CID 123880567) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(6,7-dimethoxynona-4,6,8-trienyl)formamide.

Molecular Properties

Compound NameN-(6,7-dimethoxynona-4,6,8-trienyl)formamide
PubChem CID123880567
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(6,7-dimethoxynona-4,6,8-trienyl)formamide
SMILESC=CC(OC)=C(C=CCCCNC=O)OC
InChIInChI=1S/C12H19NO3/c1-4-11(15-2)12(16-3)8-6-5-7-9-13-10-14/h4,6,8,10H,1,5,7,9H2,2-3H3,(H,13,14)
InChIKeyATSUQZZBCPIVMP-UHFFFAOYSA-N
XLogP1.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 14811298
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
ethane;N-[(4-methoxycyclohepta-1,3,5-trien-1-yl)methyl]acetamide
CID 142119166
2-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylethanamine
CID 142207085
N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide
CID 142275229
(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine
CID 143112726
(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine
CID 143115327
ethane;N-[(3-methoxycyclohepta-2,4,6-trien-1-yl)methyl]acetamide
CID 143705576
ethane;N-(3-methoxy-6-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)formamide
CID 144188019
[(3E,5E)-5-methoxy-3-methylhepta-3,5-dienyl]urea
CID 144349307
[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate
CID 71502230

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxynona-4,6,8-trienyl)formamide?
The IUPAC name of N-(6,7-dimethoxynona-4,6,8-trienyl)formamide (CID 123880567) is N-(6,7-dimethoxynona-4,6,8-trienyl)formamide.
What is the SMILES notation for N-(6,7-dimethoxynona-4,6,8-trienyl)formamide?
The canonical SMILES for N-(6,7-dimethoxynona-4,6,8-trienyl)formamide is C=CC(OC)=C(C=CCCCNC=O)OC.
What is the InChIKey of N-(6,7-dimethoxynona-4,6,8-trienyl)formamide?
The InChIKey is ATSUQZZBCPIVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-11(15-2)12(16-3)8-6-5-7-9-13-10-14/h4,6,8,10H,1,5,7,9H2,2-3H3,(H,13,14).
What are the key properties of N-(6,7-dimethoxynona-4,6,8-trienyl)formamide?
N-(6,7-dimethoxynona-4,6,8-trienyl)formamide has a molecular weight of 225.29 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxynona-4,6,8-trienyl)formamide is sourced from PubChem (CID 123880567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).