(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane

C21H40N2O3 — CID 177318636

IUPAC(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
SMILESC/C=C(\C=C(\C)CC)CC(=O)NC1CCC(=O)NC1=O.CC.CC.CC
InChIInChI=1S/C15H22N2O3.3C2H6/c1-4-10(3)8-11(5-2)9-14(19)16-12-6-7-13(18)17-15(12)20;3*1-2/h5,8,12H,4,6-7,9H2,1-3H3,(H,16,19)(H,17,18,20);3*1-2H3/b10-8-,11-5+;;;
InChIKeyPOUKFYXOZGPPHH-TWOWJKFXSA-N
MW368.56 g/mol
LogP4.68
Rot. Bonds5

About (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane

(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane (PubChem CID 177318636) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane.

Molecular Properties

Compound Name(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
PubChem CID177318636
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
SMILESC/C=C(\C=C(\C)CC)CC(=O)NC1CCC(=O)NC1=O.CC.CC.CC
InChIInChI=1S/C15H22N2O3.3C2H6/c1-4-10(3)8-11(5-2)9-14(19)16-12-6-7-13(18)17-15(12)20;3*1-2/h5,8,12H,4,6-7,9H2,1-3H3,(H,16,19)(H,17,18,20);3*1-2H3/b10-8-,11-5+;;;
InChIKeyPOUKFYXOZGPPHH-TWOWJKFXSA-N
XLogP4.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
2-(2-aminoethoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 79478388
N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
CID 136540043
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane?
The IUPAC name of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane (CID 177318636) is (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane.
What is the SMILES notation for (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane?
The canonical SMILES for (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane is C/C=C(\C=C(\C)CC)CC(=O)NC1CCC(=O)NC1=O.CC.CC.CC.
What is the InChIKey of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane?
The InChIKey is POUKFYXOZGPPHH-TWOWJKFXSA-N. The full InChI is InChI=1S/C15H22N2O3.3C2H6/c1-4-10(3)8-11(5-2)9-14(19)16-12-6-7-13(18)17-15(12)20;3*1-2/h5,8,12H,4,6-7,9H2,1-3H3,(H,16,19)(H,17,18,20);3*1-2H3/b10-8-,11-5+;;;.
What are the key properties of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane?
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane has a molecular weight of 368.56 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane is sourced from PubChem (CID 177318636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).