N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide

C19H29NO3 — CID 18583952

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO3/c21-17(18-8-13-5-14(9-18)7-15(6-13)10-18)20-11-16-12-22-19(23-16)3-1-2-4-19/h13-16H,1-12H2,(H,20,21)
InChIKeyKEPSFVUKRYQNFQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.00
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide (PubChem CID 18583952) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide
PubChem CID18583952
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO3/c21-17(18-8-13-5-14(9-18)7-15(6-13)10-18)20-11-16-12-22-19(23-16)3-1-2-4-19/h13-16H,1-12H2,(H,20,21)
InChIKeyKEPSFVUKRYQNFQ-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)cyclohexanecarboxamide
CID 18583948
2-(1-adamantyl)-N-[2-[2-[5-(1,3-dioxolan-2-yl)pentoxy]ethoxy]ethyl]acetamide
CID 132034017
2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide
CID 171735464
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
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]adamantane-1-carboxamide
CID 7423544

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide (CID 18583952) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide is O=C(NCC1COC2(CCCC2)O1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide?
The InChIKey is KEPSFVUKRYQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-17(18-8-13-5-14(9-18)7-15(6-13)10-18)20-11-16-12-22-19(23-16)3-1-2-4-19/h13-16H,1-12H2,(H,20,21).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.00, 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[4.4]nonan-3-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 18583952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).