N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide

C18H28N2O4 — CID 56787803

IUPACN-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)CNC(=O)c2ccoc2)CC1
InChIInChI=1S/C18H28N2O4/c1-17(2,3)14-4-7-18(23,8-5-14)12-20-15(21)10-19-16(22)13-6-9-24-11-13/h6,9,11,14,23H,4-5,7-8,10,12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHSBLFEONWOWCBV-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide

N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 56787803) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide
PubChem CID56787803
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)CNC(=O)c2ccoc2)CC1
InChIInChI=1S/C18H28N2O4/c1-17(2,3)14-4-7-18(23,8-5-14)12-20-15(21)10-19-16(22)13-6-9-24-11-13/h6,9,11,14,23H,4-5,7-8,10,12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHSBLFEONWOWCBV-UHFFFAOYSA-N
XLogP2.09
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide (CID 56787803) is N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide is CC(C)(C)C1CCC(O)(CNC(=O)CNC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is HSBLFEONWOWCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-17(2,3)14-4-7-18(23,8-5-14)12-20-15(21)10-19-16(22)13-6-9-24-11-13/h6,9,11,14,23H,4-5,7-8,10,12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butyl-1-hydroxycyclohexyl)methylamino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 56787803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).