N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide

C20H23NO3 — CID 18583812

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1cccc2ccccc12
InChIInChI=1S/C20H23NO3/c22-19(18-10-6-8-15-7-2-3-9-17(15)18)21-13-16-14-23-20(24-16)11-4-1-5-12-20/h2-3,6-10,16H,1,4-5,11-14H2,(H,21,22)
InChIKeyOFJPTVKTAWQSQN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.65
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide (PubChem CID 18583812) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide
PubChem CID18583812
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1cccc2ccccc12
InChIInChI=1S/C20H23NO3/c22-19(18-10-6-8-15-7-2-3-9-17(15)18)21-13-16-14-23-20(24-16)11-4-1-5-12-20/h2-3,6-10,16H,1,4-5,11-14H2,(H,21,22)
InChIKeyOFJPTVKTAWQSQN-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide (CID 18583812) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide is O=C(NCC1COC2(CCCCC2)O1)c1cccc2ccccc12.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is OFJPTVKTAWQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19(18-10-6-8-15-7-2-3-9-17(15)18)21-13-16-14-23-20(24-16)11-4-1-5-12-20/h2-3,6-10,16H,1,4-5,11-14H2,(H,21,22).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 18583812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).