(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide

C18H25NO4 — CID 94111035

IUPAC(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(COC[C@H]2CCCCO2)c1)[C@@H]1CCCO1
InChIInChI=1S/C18H25NO4/c20-18(17-8-4-10-23-17)19-15-6-3-5-14(11-15)12-21-13-16-7-1-2-9-22-16/h3,5-6,11,16-17H,1-2,4,7-10,12-13H2,(H,19,20)/t16-,17+/m1/s1
InChIKeyPSKXOVZPPAVGFH-SJORKVTESA-N
MW319.40 g/mol
LogP2.89
Rot. Bonds6

About (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide (PubChem CID 94111035) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
PubChem CID94111035
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(COC[C@H]2CCCCO2)c1)[C@@H]1CCCO1
InChIInChI=1S/C18H25NO4/c20-18(17-8-4-10-23-17)19-15-6-3-5-14(11-15)12-21-13-16-7-1-2-9-22-16/h3,5-6,11,16-17H,1-2,4,7-10,12-13H2,(H,19,20)/t16-,17+/m1/s1
InChIKeyPSKXOVZPPAVGFH-SJORKVTESA-N
XLogP2.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 102556165
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide (CID 94111035) is (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide?
The InChIKey is PSKXOVZPPAVGFH-SJORKVTESA-N. The full InChI is InChI=1S/C18H25NO4/c20-18(17-8-4-10-23-17)19-15-6-3-5-14(11-15)12-21-13-16-7-1-2-9-22-16/h3,5-6,11,16-17H,1-2,4,7-10,12-13H2,(H,19,20)/t16-,17+/m1/s1.
What are the key properties of (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 94111035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).