(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide

C16H29NO — CID 6443006

IUPAC(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
SMILESCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
InChIKeyBBRMJCAPNGJKEM-AQASXUMVSA-N
MW251.41 g/mol
LogP4.23
Rot. Bonds10

About (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide (PubChem CID 6443006) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
PubChem CID6443006
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
SMILESCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
InChIKeyBBRMJCAPNGJKEM-AQASXUMVSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide (CID 6443006) is (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide is CCCCCCC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide?
The InChIKey is BBRMJCAPNGJKEM-AQASXUMVSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide has a molecular weight of 251.41 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide is sourced from PubChem (CID 6443006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).