N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide

C20H31NO3 — CID 7423544

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO3/c22-18(19-9-14-6-15(10-19)8-16(7-14)11-19)21-12-17-13-23-20(24-17)4-2-1-3-5-20/h14-17H,1-13H2,(H,21,22)/t14?,15?,16?,17-,19?/m1/s1
InChIKeySDNJBRLTOHKLRX-YMVOSSCXSA-N
MW333.47 g/mol
LogP3.39
Rot. Bonds3

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide (PubChem CID 7423544) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide
PubChem CID7423544
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO3/c22-18(19-9-14-6-15(10-19)8-16(7-14)11-19)21-12-17-13-23-20(24-17)4-2-1-3-5-20/h14-17H,1-13H2,(H,21,22)/t14?,15?,16?,17-,19?/m1/s1
InChIKeySDNJBRLTOHKLRX-YMVOSSCXSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Adamantanecarboxamide, N-tetrahydrofurfuryl-
CID 532250
2-adamantanyl-N-(oxolan-2-ylmethyl)acetamide
CID 6457745
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)cyclohexanecarboxamide
CID 18583816
(3r,5r,7r)-N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)adamantane-1-carboxamide
CID 18583819
(1r,3R,5S)-N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)adamantane-1-carboxamide
CID 18583952
2-(1-adamantyl)-N-[2-[2-[5-(1,3-dioxolan-2-yl)pentoxy]ethoxy]ethyl]acetamide
CID 132034017
3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide
CID 6468300
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
N-[[(2S)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079713
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide
CID 7423543
2-(1-adamantyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8053238
2-(1-adamantyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8053239

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide (CID 7423544) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide is O=C(NC[C@@H]1COC2(CCCCC2)O1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide?
The InChIKey is SDNJBRLTOHKLRX-YMVOSSCXSA-N. The full InChI is InChI=1S/C20H31NO3/c22-18(19-9-14-6-15(10-19)8-16(7-14)11-19)21-12-17-13-23-20(24-17)4-2-1-3-5-20/h14-17H,1-13H2,(H,21,22)/t14?,15?,16?,17-,19?/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 7423544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).