N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C22H26N2O5 — CID 42820099

IUPACN-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1cccc(C(=O)N2C(C(=O)NCc3ccco3)COC23CCCCC3)c1
InChIInChI=1S/C22H26N2O5/c1-27-17-8-5-7-16(13-17)21(26)24-19(15-29-22(24)10-3-2-4-11-22)20(25)23-14-18-9-6-12-28-18/h5-9,12-13,19H,2-4,10-11,14-15H2,1H3,(H,23,25)
InChIKeyXLNMNDZNDTXOOT-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.11
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 42820099) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID42820099
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1cccc(C(=O)N2C(C(=O)NCc3ccco3)COC23CCCCC3)c1
InChIInChI=1S/C22H26N2O5/c1-27-17-8-5-7-16(13-17)21(26)24-19(15-29-22(24)10-3-2-4-11-22)20(25)23-14-18-9-6-12-28-18/h5-9,12-13,19H,2-4,10-11,14-15H2,1H3,(H,23,25)
InChIKeyXLNMNDZNDTXOOT-UHFFFAOYSA-N
XLogP3.11
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-8-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138681
(3R)-8-(3,4-dichlorobenzoyl)-N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98420994
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
(3R)-8-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144522
(3R)-N-(furan-2-ylmethyl)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137976
(3R)-8-(3,3-dimethylbutanoyl)-N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144322
N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820842
(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138038
4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956209
(3S)-4-(3-methoxybenzoyl)-8-propanoyl-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478249
(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138647
(3R)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138648

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 42820099) is N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is COc1cccc(C(=O)N2C(C(=O)NCc3ccco3)COC23CCCCC3)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is XLNMNDZNDTXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-17-8-5-7-16(13-17)21(26)24-19(15-29-22(24)10-3-2-4-11-22)20(25)23-14-18-9-6-12-28-18/h5-9,12-13,19H,2-4,10-11,14-15H2,1H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).