2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide

C19H27NO3 — CID 95378100

IUPAC2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
SMILESO=C(C[C@H]1CCCO1)NCCCO[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H27NO3/c21-19(14-16-8-4-12-22-16)20-11-5-13-23-18-10-3-7-15-6-1-2-9-17(15)18/h1-2,6,9,16,18H,3-5,7-8,10-14H2,(H,20,21)/t16-,18+/m1/s1
InChIKeyCLFPMDCAWXDJTL-AEFFLSMTSA-N
MW317.43 g/mol
LogP3.16
Rot. Bonds7

About 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide

2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide (PubChem CID 95378100) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
PubChem CID95378100
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
SMILESO=C(C[C@H]1CCCO1)NCCCO[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H27NO3/c21-19(14-16-8-4-12-22-16)20-11-5-13-23-18-10-3-7-15-6-1-2-9-17(15)18/h1-2,6,9,16,18H,3-5,7-8,10-14H2,(H,20,21)/t16-,18+/m1/s1
InChIKeyCLFPMDCAWXDJTL-AEFFLSMTSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide
CID 119032738
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378104
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
CID 111173783
3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
CID 95378082
5-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119129883
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide (CID 95378100) is 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide is O=C(C[C@H]1CCCO1)NCCCO[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
The InChIKey is CLFPMDCAWXDJTL-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H27NO3/c21-19(14-16-8-4-12-22-16)20-11-5-13-23-18-10-3-7-15-6-1-2-9-17(15)18/h1-2,6,9,16,18H,3-5,7-8,10-14H2,(H,20,21)/t16-,18+/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide?
2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide is sourced from PubChem (CID 95378100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).