(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide

C21H23NO3 — CID 95319395

IUPAC(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@H]1CCOC1
InChIInChI=1S/C21H23NO3/c23-21(18-10-12-24-14-18)22-20(15-5-2-1-3-6-15)17-8-9-19-16(13-17)7-4-11-25-19/h1-3,5-6,8-9,13,18,20H,4,7,10-12,14H2,(H,22,23)/t18-,20+/m0/s1
InChIKeyWTMOEXFOKXKZIE-AZUAARDMSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds4

About (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide

(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide (PubChem CID 95319395) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
PubChem CID95319395
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@H]1CCOC1
InChIInChI=1S/C21H23NO3/c23-21(18-10-12-24-14-18)22-20(15-5-2-1-3-6-15)17-8-9-19-16(13-17)7-4-11-25-19/h1-3,5-6,8-9,13,18,20H,4,7,10-12,14H2,(H,22,23)/t18-,20+/m0/s1
InChIKeyWTMOEXFOKXKZIE-AZUAARDMSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide (CID 95319395) is (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide is O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide?
The InChIKey is WTMOEXFOKXKZIE-AZUAARDMSA-N. The full InChI is InChI=1S/C21H23NO3/c23-21(18-10-12-24-14-18)22-20(15-5-2-1-3-6-15)17-8-9-19-16(13-17)7-4-11-25-19/h1-3,5-6,8-9,13,18,20H,4,7,10-12,14H2,(H,22,23)/t18-,20+/m0/s1.
What are the key properties of (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide?
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 95319395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).