(2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen

C20H36N2O2 — CID 145136992

IUPAC(2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen
SMILESC=C(/C=C\CCCC(O)N(C)C)CC(C)/C=C(\C)C(=O)NC1CC1.[H][H]
InChIInChI=1S/C20H34N2O2.H2/c1-15(9-7-6-8-10-19(23)22(4)5)13-16(2)14-17(3)20(24)21-18-11-12-18;/h7,9,14,16,18-19,23H,1,6,8,10-13H2,2-5H3,(H,21,24);1H/b9-7-,17-14+;
InChIKeyBUPGYZHHERZBOF-OOGBRRCVSA-N
MW336.52 g/mol
LogP3.65
Rot. Bonds11

About (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen

(2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen (PubChem CID 145136992) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen.

Molecular Properties

Compound Name(2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen
PubChem CID145136992
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name(2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen
SMILESC=C(/C=C\CCCC(O)N(C)C)CC(C)/C=C(\C)C(=O)NC1CC1.[H][H]
InChIInChI=1S/C20H34N2O2.H2/c1-15(9-7-6-8-10-19(23)22(4)5)13-16(2)14-17(3)20(24)21-18-11-12-18;/h7,9,14,16,18-19,23H,1,6,8,10-13H2,2-5H3,(H,21,24);1H/b9-7-,17-14+;
InChIKeyBUPGYZHHERZBOF-OOGBRRCVSA-N
XLogP3.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen?
The IUPAC name of (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen (CID 145136992) is (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen.
What is the SMILES notation for (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen?
The canonical SMILES for (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen is C=C(/C=C\CCCC(O)N(C)C)CC(C)/C=C(\C)C(=O)NC1CC1.[H][H].
What is the InChIKey of (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen?
The InChIKey is BUPGYZHHERZBOF-OOGBRRCVSA-N. The full InChI is InChI=1S/C20H34N2O2.H2/c1-15(9-7-6-8-10-19(23)22(4)5)13-16(2)14-17(3)20(24)21-18-11-12-18;/h7,9,14,16,18-19,23H,1,6,8,10-13H2,2-5H3,(H,21,24);1H/b9-7-,17-14+;.
What are the key properties of (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen?
(2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen has a molecular weight of 336.52 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-N-cyclopropyl-12-(dimethylamino)-12-hydroxy-2,4-dimethyl-6-methylidenedodeca-2,7-dienamide;molecular hydrogen is sourced from PubChem (CID 145136992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).