N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide

About N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide

N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 10118965) has the molecular formula C31H45N3O4 and a molecular weight of 523.72 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name	N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID	10118965
Molecular Formula	C31H45N3O4
Molecular Weight	523.72 g/mol
Exact Mass	523.34
IUPAC Name	N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
SMILES	Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CC(=O)NOC(C)(C)C)CCCCC3)CC2)cc1
InChI	InChI=1S/C31H45N3O4/c1-24-10-12-25(13-11-24)34(29(36)27-9-8-22-37-27)26-14-19-33(20-15-26)21-18-31(16-6-5-7-17-31)23-28(35)32-38-30(2,3)4/h8-13,22,26H,5-7,14-21,23H2,1-4H3,(H,32,35)
InChIKey	LTRXHNHLHKQCLC-UHFFFAOYSA-N
XLogP	6.28
TPSA	75.02 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.72
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

The IUPAC name of N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide (CID 10118965) is N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide.

What is the SMILES notation for N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

The canonical SMILES for N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CC(=O)NOC(C)(C)C)CCCCC3)CC2)cc1.

What is the InChIKey of N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

The InChIKey is LTRXHNHLHKQCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O4/c1-24-10-12-25(13-11-24)34(29(36)27-9-8-22-37-27)26-14-19-33(20-15-26)21-18-31(16-6-5-7-17-31)23-28(35)32-38-30(2,3)4/h8-13,22,26H,5-7,14-21,23H2,1-4H3,(H,32,35).

What are the key properties of N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 523.72 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-N-[1-[2-[1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 10118965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).