N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

C24H25NO4 — CID 110213735

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
SMILESCOc1ccc(CCNC(=O)C2C3CCC4(CC(=O)c5ccccc5O4)C32)cc1
InChIInChI=1S/C24H25NO4/c1-28-16-8-6-15(7-9-16)11-13-25-23(27)21-18-10-12-24(22(18)21)14-19(26)17-4-2-3-5-20(17)29-24/h2-9,18,21-22H,10-14H2,1H3,(H,25,27)
InChIKeyQAFFXYGXSXGWHD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide (PubChem CID 110213735) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
PubChem CID110213735
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
SMILESCOc1ccc(CCNC(=O)C2C3CCC4(CC(=O)c5ccccc5O4)C32)cc1
InChIInChI=1S/C24H25NO4/c1-28-16-8-6-15(7-9-16)11-13-25-23(27)21-18-10-12-24(22(18)21)14-19(26)17-4-2-3-5-20(17)29-24/h2-9,18,21-22H,10-14H2,1H3,(H,25,27)
InChIKeyQAFFXYGXSXGWHD-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1'S,2S,5'R,6'R)-N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124799546
(1'S,2S,5'R,6'R)-N-(2-methoxyethyl)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124790590
N-(2-amino-2-oxoethyl)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 110213736
(1'S,2R,5'R,6'R)-4-oxo-N-propan-2-ylspiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 92580086
(1'S,2R,5'S,6'R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 98059416
ethyl (1'S,2S,5'R,6'R)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxylate
CID 124824195
(1'R,2S,5'R,6'R)-N-cyclopentyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 98059258
(1'S,2S,5'R,6'R)-N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124827153
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677744
(1'S,2S,5'R,6'R)-6'-[(3R)-3-methylpiperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 124913708
(1'R,2S,5'R,6'R)-6-chloro-4-oxo-N-prop-2-enylspiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124808748
N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
CID 110220286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide (CID 110213735) is N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide is COc1ccc(CCNC(=O)C2C3CCC4(CC(=O)c5ccccc5O4)C32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The InChIKey is QAFFXYGXSXGWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-28-16-8-6-15(7-9-16)11-13-25-23(27)21-18-10-12-24(22(18)21)14-19(26)17-4-2-3-5-20(17)29-24/h2-9,18,21-22H,10-14H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide is sourced from PubChem (CID 110213735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).