(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C20H28N2O3 — CID 99788812

IUPAC(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccc2c(CCNC(=O)[C@@H](C)OC[C@@H]3CCCO3)cn(C)c2c1
InChIInChI=1S/C20H28N2O3/c1-14-6-7-18-16(12-22(3)19(18)11-14)8-9-21-20(23)15(2)25-13-17-5-4-10-24-17/h6-7,11-12,15,17H,4-5,8-10,13H2,1-3H3,(H,21,23)/t15-,17+/m1/s1
InChIKeyUUEPGRODDKVQOM-WBVHZDCISA-N
MW344.46 g/mol
LogP2.73
Rot. Bonds7

About (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 99788812) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID99788812
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccc2c(CCNC(=O)[C@@H](C)OC[C@@H]3CCCO3)cn(C)c2c1
InChIInChI=1S/C20H28N2O3/c1-14-6-7-18-16(12-22(3)19(18)11-14)8-9-21-20(23)15(2)25-13-17-5-4-10-24-17/h6-7,11-12,15,17H,4-5,8-10,13H2,1-3H3,(H,21,23)/t15-,17+/m1/s1
InChIKeyUUEPGRODDKVQOM-WBVHZDCISA-N
XLogP2.73
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116546939
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide
CID 100727293
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97435362
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622
1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
CID 124842787
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
CID 119996178
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 99788812) is (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is Cc1ccc2c(CCNC(=O)[C@@H](C)OC[C@@H]3CCCO3)cn(C)c2c1.
What is the InChIKey of (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is UUEPGRODDKVQOM-WBVHZDCISA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-6-7-18-16(12-22(3)19(18)11-14)8-9-21-20(23)15(2)25-13-17-5-4-10-24-17/h6-7,11-12,15,17H,4-5,8-10,13H2,1-3H3,(H,21,23)/t15-,17+/m1/s1.
What are the key properties of (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 99788812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).