(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide

C14H23NO — CID 143257008

IUPAC(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide
SMILESC/C=C(\C=C/C(=C\C)C(=O)NCCC)CC
InChIInChI=1S/C14H23NO/c1-5-11-15-14(16)13(8-4)10-9-12(6-2)7-3/h6,8-10H,5,7,11H2,1-4H3,(H,15,16)/b10-9-,12-6-,13-8+
InChIKeyNNIWSIZTCNVMJA-QOKLPFDUSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds6

About (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide

(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide (PubChem CID 143257008) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide
PubChem CID143257008
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide
SMILESC/C=C(\C=C/C(=C\C)C(=O)NCCC)CC
InChIInChI=1S/C14H23NO/c1-5-11-15-14(16)13(8-4)10-9-12(6-2)7-3/h6,8-10H,5,7,11H2,1-4H3,(H,15,16)/b10-9-,12-6-,13-8+
InChIKeyNNIWSIZTCNVMJA-QOKLPFDUSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10942523
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CID 142959993
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
(E)-2-amino-N,N'-dipropylbut-2-enediamide
CID 90409713
(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
CID 118029945
(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
CID 130282853
N,N-dimethyl-2-(propylamino)but-2-enamide
CID 122506064
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
CID 87242208
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706

Frequently Asked Questions

What is the IUPAC name of (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide?
The IUPAC name of (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide (CID 143257008) is (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide.
What is the SMILES notation for (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide?
The canonical SMILES for (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide is C/C=C(\C=C/C(=C\C)C(=O)NCCC)CC.
What is the InChIKey of (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide?
The InChIKey is NNIWSIZTCNVMJA-QOKLPFDUSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11-15-14(16)13(8-4)10-9-12(6-2)7-3/h6,8-10H,5,7,11H2,1-4H3,(H,15,16)/b10-9-,12-6-,13-8+.
What are the key properties of (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide?
(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide has a molecular weight of 221.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide is sourced from PubChem (CID 143257008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).