N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide

C15H20N2O2 — CID 95612335

IUPACN-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(NCC[C@@H]1CCCO1)N1Cc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c18-15(16-8-7-14-6-3-9-19-14)17-10-12-4-1-2-5-13(12)11-17/h1-2,4-5,14H,3,6-11H2,(H,16,18)/t14-/m0/s1
InChIKeySEQACSYVWBZKGW-AWEZNQCLSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds3

About N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide

N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 95612335) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID95612335
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(NCC[C@@H]1CCCO1)N1Cc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c18-15(16-8-7-14-6-3-9-19-14)17-10-12-4-1-2-5-13(12)11-17/h1-2,4-5,14H,3,6-11H2,(H,16,18)/t14-/m0/s1
InChIKeySEQACSYVWBZKGW-AWEZNQCLSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 95150814
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146916
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide (CID 95612335) is N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide is O=C(NCC[C@@H]1CCCO1)N1Cc2ccccc2C1.
What is the InChIKey of N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is SEQACSYVWBZKGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(16-8-7-14-6-3-9-19-14)17-10-12-4-1-2-5-13(12)11-17/h1-2,4-5,14H,3,6-11H2,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide?
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 95612335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).