1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide

C20H26N2O4 — CID 110213454

IUPAC1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CC(=O)N(C)C1)CC1(CCOCC1)O2
InChIInChI=1S/C20H26N2O4/c1-13-3-4-17-15(9-13)16(11-20(26-17)5-7-25-8-6-20)21-19(24)14-10-18(23)22(2)12-14/h3-4,9,14,16H,5-8,10-12H2,1-2H3,(H,21,24)
InChIKeyIWLGNGLLNMORTB-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.96
Rot. Bonds2

About 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide

1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110213454) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110213454
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CC(=O)N(C)C1)CC1(CCOCC1)O2
InChIInChI=1S/C20H26N2O4/c1-13-3-4-17-15(9-13)16(11-20(26-17)5-7-25-8-6-20)21-19(24)14-10-18(23)22(2)12-14/h3-4,9,14,16H,5-8,10-12H2,1-2H3,(H,21,24)
InChIKeyIWLGNGLLNMORTB-UHFFFAOYSA-N
XLogP1.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide
CID 110213448
1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 99970758
2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide
CID 172664053
(3S)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95196409
(3S)-1-(4-methylphenyl)sulfonyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077452
(3S)-1-(4-methylphenyl)sulfonyl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077453
1-(4-methylphenyl)sulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
CID 133167945
(3R)-1-methyl-5-oxo-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)pyrrolidine-3-carboxamide
CID 51598796
N,6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114712492
1-(4-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
1-benzyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 46766192
1-benzyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013766

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 110213454) is 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc2c(c1)C(NC(=O)C1CC(=O)N(C)C1)CC1(CCOCC1)O2.
What is the InChIKey of 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IWLGNGLLNMORTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-3-4-17-15(9-13)16(11-20(26-17)5-7-25-8-6-20)21-19(24)14-10-18(23)22(2)12-14/h3-4,9,14,16H,5-8,10-12H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110213454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).