N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide

C19H25NO4 — CID 110213448

IUPACN-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CCCO1)CC1(CCOCC1)O2
InChIInChI=1S/C19H25NO4/c1-13-4-5-16-14(11-13)15(20-18(21)17-3-2-8-23-17)12-19(24-16)6-9-22-10-7-19/h4-5,11,15,17H,2-3,6-10,12H2,1H3,(H,20,21)
InChIKeyNLVKCFHUGXJIMW-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.66
Rot. Bonds2

About N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide

N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide (PubChem CID 110213448) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide
PubChem CID110213448
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CCCO1)CC1(CCOCC1)O2
InChIInChI=1S/C19H25NO4/c1-13-4-5-16-14(11-13)15(20-18(21)17-3-2-8-23-17)12-19(24-16)6-9-22-10-7-19/h4-5,11,15,17H,2-3,6-10,12H2,1H3,(H,20,21)
InChIKeyNLVKCFHUGXJIMW-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
CID 46958893
1-methyl-N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110213454
1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 99970758
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N,6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114712492
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712585
(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553219
2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide
CID 172664053
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871

Frequently Asked Questions

What is the IUPAC name of N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide?
The IUPAC name of N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide (CID 110213448) is N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide is Cc1ccc2c(c1)C(NC(=O)C1CCCO1)CC1(CCOCC1)O2.
What is the InChIKey of N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide?
The InChIKey is NLVKCFHUGXJIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-4-5-16-14(11-13)15(20-18(21)17-3-2-8-23-17)12-19(24-16)6-9-22-10-7-19/h4-5,11,15,17H,2-3,6-10,12H2,1H3,(H,20,21).
What are the key properties of N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide?
N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 110213448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).