N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane

About N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane

N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane (PubChem CID 143023538) has the molecular formula C30H56N4O4 and a molecular weight of 536.80 g/mol. Its IUPAC name is N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane.

Molecular Properties

Compound Name	N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane
PubChem CID	143023538
Molecular Formula	C30H56N4O4
Molecular Weight	536.80 g/mol
Exact Mass	536.43
IUPAC Name	N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane
SMILES	C=CO/C(=C\C)CNC(=O)C(=C)C.CCC.CCN(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C
InChI	InChI=1S/C17H33N3O2.C10H15NO2.C3H8/c1-7-19(6)17(22)15(12(2)3)18-16(21)14-10-8-9-11-20(14)13(4)5;1-5-9(13-6-2)7-11-10(12)8(3)4;1-3-2/h12-15H,7-11H2,1-6H3,(H,18,21);5-6H,2-3,7H2,1,4H3,(H,11,12);3H2,1-2H3/b;9-5-;
InChIKey	CIHWIYUNKKNVDM-PJDKWVILSA-N
XLogP	5.03
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.80
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane?

The IUPAC name of N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane (CID 143023538) is N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane.

What is the SMILES notation for N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane?

The canonical SMILES for N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane is C=CO/C(=C\C)CNC(=O)C(=C)C.CCC.CCN(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C.

What is the InChIKey of N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane?

The InChIKey is CIHWIYUNKKNVDM-PJDKWVILSA-N. The full InChI is InChI=1S/C17H33N3O2.C10H15NO2.C3H8/c1-7-19(6)17(22)15(12(2)3)18-16(21)14-10-8-9-11-20(14)13(4)5;1-5-9(13-6-2)7-11-10(12)8(3)4;1-3-2/h12-15H,7-11H2,1-6H3,(H,18,21);5-6H,2-3,7H2,1,4H3,(H,11,12);3H2,1-2H3/b;9-5-;.

What are the key properties of N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane?

N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane has a molecular weight of 536.80 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide;N-[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide;propane is sourced from PubChem (CID 143023538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).