2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C23H25NO4 — CID 140554253

IUPAC2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1[C@H]1CCc2cc(C=O)ccc2C1
InChIInChI=1S/C23H25NO4/c24-23(26)21-8-7-19(28-14-20-2-1-9-27-20)12-22(21)18-6-5-16-10-15(13-25)3-4-17(16)11-18/h3-4,7-8,10,12-13,18,20H,1-2,5-6,9,11,14H2,(H2,24,26)/t18-,20-/m0/s1
InChIKeyJTTWRNOYQZWLFE-ICSRJNTNSA-N
MW379.46 g/mol
LogP3.43
Rot. Bonds6

About 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 140554253) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID140554253
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1[C@H]1CCc2cc(C=O)ccc2C1
InChIInChI=1S/C23H25NO4/c24-23(26)21-8-7-19(28-14-20-2-1-9-27-20)12-22(21)18-6-5-16-10-15(13-25)3-4-17(16)11-18/h3-4,7-8,10,12-13,18,20H,1-2,5-6,9,11,14H2,(H2,24,26)/t18-,20-/m0/s1
InChIKeyJTTWRNOYQZWLFE-ICSRJNTNSA-N
XLogP3.43
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-[(3S)-piperidin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 67546457
N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 67545819
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8562745
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 140554253) is 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1[C@H]1CCc2cc(C=O)ccc2C1.
What is the InChIKey of 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is JTTWRNOYQZWLFE-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H25NO4/c24-23(26)21-8-7-19(28-14-20-2-1-9-27-20)12-22(21)18-6-5-16-10-15(13-25)3-4-17(16)11-18/h3-4,7-8,10,12-13,18,20H,1-2,5-6,9,11,14H2,(H2,24,26)/t18-,20-/m0/s1.
What are the key properties of 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 140554253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).