(E)-N,N-diethyl-7-methylideneundec-2-enamide

C16H29NO — CID 177471743

IUPAC(E)-N,N-diethyl-7-methylideneundec-2-enamide
SMILESC=C(CCCC)CCC/C=C/C(=O)N(CC)CC
InChIInChI=1S/C16H29NO/c1-5-8-12-15(4)13-10-9-11-14-16(18)17(6-2)7-3/h11,14H,4-10,12-13H2,1-3H3/b14-11+
InChIKeyKLKRGTQQSLAZBD-SDNWHVSQSA-N
MW251.41 g/mol
LogP4.33
Rot. Bonds10

About (E)-N,N-diethyl-7-methylideneundec-2-enamide

(E)-N,N-diethyl-7-methylideneundec-2-enamide (PubChem CID 177471743) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (E)-N,N-diethyl-7-methylideneundec-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-7-methylideneundec-2-enamide
PubChem CID177471743
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(E)-N,N-diethyl-7-methylideneundec-2-enamide
SMILESC=C(CCCC)CCC/C=C/C(=O)N(CC)CC
InChIInChI=1S/C16H29NO/c1-5-8-12-15(4)13-10-9-11-14-16(18)17(6-2)7-3/h11,14H,4-10,12-13H2,1-3H3/b14-11+
InChIKeyKLKRGTQQSLAZBD-SDNWHVSQSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-2-Octadecenoic acid, pyrrolidide
CID 91705218
1-((E)-2-Decenoyl)pyrrolidine
CID 46935131
(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
(2E,4E)-N,N-diethyl-3,7,11-trimethyldodeca-2,4-dienamide
CID 44283991
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
(E)-1-(azetidin-1-yl)octadec-2-en-1-one
CID 145964653
(E)-1-(azetidin-1-yl)tetradec-2-en-1-one
CID 145966314
(E)-1-(azetidin-1-yl)icos-2-en-1-one
CID 145966883
(E)-1-pyrrolidin-1-yltetradec-2-en-1-one
CID 145966888
[(2E)-hexadecanoyl]pyrrolidine
CID 145967021
(E)-1-(azetidin-1-yl)hexadec-2-en-1-one
CID 145967333
(E)-1-pyrrolidin-1-ylicos-2-en-1-one
CID 145975555

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-7-methylideneundec-2-enamide?
The IUPAC name of (E)-N,N-diethyl-7-methylideneundec-2-enamide (CID 177471743) is (E)-N,N-diethyl-7-methylideneundec-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-7-methylideneundec-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-7-methylideneundec-2-enamide is C=C(CCCC)CCC/C=C/C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-7-methylideneundec-2-enamide?
The InChIKey is KLKRGTQQSLAZBD-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-8-12-15(4)13-10-9-11-14-16(18)17(6-2)7-3/h11,14H,4-10,12-13H2,1-3H3/b14-11+.
What are the key properties of (E)-N,N-diethyl-7-methylideneundec-2-enamide?
(E)-N,N-diethyl-7-methylideneundec-2-enamide has a molecular weight of 251.41 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-7-methylideneundec-2-enamide is sourced from PubChem (CID 177471743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).