(Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide

C17H33N3O2 — CID 89432998

IUPAC(Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide
SMILESCC(C)NCCN(CCNC(C)C)C(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C17H33N3O2/c1-13(2)16(21)7-8-17(22)20(11-9-18-14(3)4)12-10-19-15(5)6/h7-8,13-15,18-19H,9-12H2,1-6H3/b8-7-
InChIKeyPCYANXSAJSQLJB-FPLPWBNLSA-N
MW311.47 g/mol
LogP1.59
Rot. Bonds11

About (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide

(Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide (PubChem CID 89432998) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide
PubChem CID89432998
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide
SMILESCC(C)NCCN(CCNC(C)C)C(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C17H33N3O2/c1-13(2)16(21)7-8-17(22)20(11-9-18-14(3)4)12-10-19-15(5)6/h7-8,13-15,18-19H,9-12H2,1-6H3/b8-7-
InChIKeyPCYANXSAJSQLJB-FPLPWBNLSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide?
The IUPAC name of (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide (CID 89432998) is (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide?
The canonical SMILES for (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide is CC(C)NCCN(CCNC(C)C)C(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide?
The InChIKey is PCYANXSAJSQLJB-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13(2)16(21)7-8-17(22)20(11-9-18-14(3)4)12-10-19-15(5)6/h7-8,13-15,18-19H,9-12H2,1-6H3/b8-7-.
What are the key properties of (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide?
(Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide has a molecular weight of 311.47 g/mol, XLogP of 1.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-oxo-N,N-bis[2-(propan-2-ylamino)ethyl]hex-2-enamide is sourced from PubChem (CID 89432998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).