(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide

C15H27NO2 — CID 142894614

IUPAC(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
SMILESCC/C=C(\C=C/CCC(=O)NCC)COC(C)C
InChIInChI=1S/C15H27NO2/c1-5-9-14(12-18-13(3)4)10-7-8-11-15(17)16-6-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17)/b10-7-,14-9+
InChIKeyGXUDLUHYZXNUME-WUQVPHFESA-N
MW253.39 g/mol
LogP3.22
Rot. Bonds9

About (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide

(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide (PubChem CID 142894614) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide.

Molecular Properties

Compound Name(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
PubChem CID142894614
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
SMILESCC/C=C(\C=C/CCC(=O)NCC)COC(C)C
InChIInChI=1S/C15H27NO2/c1-5-9-14(12-18-13(3)4)10-7-8-11-15(17)16-6-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17)/b10-7-,14-9+
InChIKeyGXUDLUHYZXNUME-WUQVPHFESA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide
CID 173470869
(3Z,5E)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 70874881
2,8-Dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 77935922
N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
CID 87797894
N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073483
N-(3-aminopropyl)-3-[(3S)-3-methoxycyclohexa-1,5-dien-1-yl]prop-2-ynamide
CID 89535895
(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
N-[(4Z,6E)-7-butoxy-8-methoxy-3-methylideneocta-4,6-dienyl]acetamide
CID 117906275
3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
CID 123378652
N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
CID 123670587
N-[2-(7-methoxy-6,7-dihydronaphthalen-1-yl)ethyl]acetamide
CID 126607224

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
The IUPAC name of (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide (CID 142894614) is (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide.
What is the SMILES notation for (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
The canonical SMILES for (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide is CC/C=C(\C=C/CCC(=O)NCC)COC(C)C.
What is the InChIKey of (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
The InChIKey is GXUDLUHYZXNUME-WUQVPHFESA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-9-14(12-18-13(3)4)10-7-8-11-15(17)16-6-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17)/b10-7-,14-9+.
What are the key properties of (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide has a molecular weight of 253.39 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide is sourced from PubChem (CID 142894614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).