N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide

C18H31NO4 — CID 128527314

IUPACN-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NCC2CCC3(CCOCC3)C2O)C1
InChIInChI=1S/C18H31NO4/c1-22-15-4-2-3-13(11-15)17(21)19-12-14-5-6-18(16(14)20)7-9-23-10-8-18/h13-16,20H,2-12H2,1H3,(H,19,21)
InChIKeyBLFMHDYEFADQEH-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.88
Rot. Bonds4

About N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide

N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 128527314) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide
PubChem CID128527314
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC NameN-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NCC2CCC3(CCOCC3)C2O)C1
InChIInChI=1S/C18H31NO4/c1-22-15-4-2-3-13(11-15)17(21)19-12-14-5-6-18(16(14)20)7-9-23-10-8-18/h13-16,20H,2-12H2,1H3,(H,19,21)
InChIKeyBLFMHDYEFADQEH-UHFFFAOYSA-N
XLogP1.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide (CID 128527314) is N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide is COC1CCCC(C(=O)NCC2CCC3(CCOCC3)C2O)C1.
What is the InChIKey of N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is BLFMHDYEFADQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-22-15-4-2-3-13(11-15)17(21)19-12-14-5-6-18(16(14)20)7-9-23-10-8-18/h13-16,20H,2-12H2,1H3,(H,19,21).
What are the key properties of N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide?
N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-8-oxaspiro[4.5]decan-3-yl)methyl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 128527314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).