(2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide

C18H29NO — CID 5275518

IUPAC(2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide
SMILESC=CCNC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H29NO/c1-6-13-19-18(20)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h6,9,11,14H,1,7-8,10,12-13H2,2-5H3,(H,19,20)/b16-11+,17-14+
InChIKeyNUAWRWSFYJYUMW-GIROIBLESA-N
MW275.44 g/mol
LogP4.71
Rot. Bonds9

About (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide

(2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide (PubChem CID 5275518) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide
PubChem CID5275518
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide
SMILESC=CCNC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H29NO/c1-6-13-19-18(20)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h6,9,11,14H,1,7-8,10,12-13H2,2-5H3,(H,19,20)/b16-11+,17-14+
InChIKeyNUAWRWSFYJYUMW-GIROIBLESA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Pellitorine
CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
(2E,4E,8Z)-N-isobutyltetradeca-2,4,8-trienamide
CID 73355665
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
8,9-Dehydropellitorine
CID 14427412
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide (CID 5275518) is (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide is C=CCNC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide?
The InChIKey is NUAWRWSFYJYUMW-GIROIBLESA-N. The full InChI is InChI=1S/C18H29NO/c1-6-13-19-18(20)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h6,9,11,14H,1,7-8,10,12-13H2,2-5H3,(H,19,20)/b16-11+,17-14+.
What are the key properties of (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide?
(2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide has a molecular weight of 275.44 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7,11-trimethyl-N-prop-2-enyldodeca-2,6,10-trienamide is sourced from PubChem (CID 5275518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).