N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide

C19H29NO3 — CID 41412201

IUPACN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H]1COC2(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)/t13?,14?,15?,16-,18?/m0/s1
InChIKeyKEPSFVUKRYQNFQ-KUNBBXKYSA-N
MW319.45 g/mol
LogP3.00
Rot. Bonds3

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

N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide (PubChem CID 41412201) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
PubChem CID41412201
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H]1COC2(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)/t13?,14?,15?,16-,18?/m0/s1
InChIKeyKEPSFVUKRYQNFQ-KUNBBXKYSA-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

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Related Compounds

N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
CID 7645652
N'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583844
N'-cycloheptyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583998
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
CID 97258947
N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583979

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide (CID 41412201) is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide is O=C(NC[C@H]1COC2(CCCC2)O1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide?
The InChIKey is KEPSFVUKRYQNFQ-KUNBBXKYSA-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)/t13?,14?,15?,16-,18?/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide?
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]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-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 41412201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).