4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide

C16H22N2O3 — CID 107222261

IUPAC4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H22N2O3/c1-2-17-13-9-21-8-12(13)16(20)18-15-11-6-4-3-5-10(11)7-14(15)19/h3-6,12-15,17,19H,2,7-9H2,1H3,(H,18,20)/t12?,13?,14-,15+/m0/s1
InChIKeyWBPAWNXJVVNHBY-PFSRBDOWSA-N
MW290.36 g/mol
LogP0.39
Rot. Bonds4

About 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide

4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide (PubChem CID 107222261) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
PubChem CID107222261
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H22N2O3/c1-2-17-13-9-21-8-12(13)16(20)18-15-11-6-4-3-5-10(11)7-14(15)19/h3-6,12-15,17,19H,2,7-9H2,1H3,(H,18,20)/t12?,13?,14-,15+/m0/s1
InChIKeyWBPAWNXJVVNHBY-PFSRBDOWSA-N
XLogP0.39
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
CID 107221645
1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895956
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
CID 62758276
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide (CID 107222261) is 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide is CCNC1COCC1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
The InChIKey is WBPAWNXJVVNHBY-PFSRBDOWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-17-13-9-21-8-12(13)16(20)18-15-11-6-4-3-5-10(11)7-14(15)19/h3-6,12-15,17,19H,2,7-9H2,1H3,(H,18,20)/t12?,13?,14-,15+/m0/s1.
What are the key properties of 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide is sourced from PubChem (CID 107222261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).