trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide

C20H26N2O3 — CID 92583677

IUPACtrans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12
InChIInChI=1S/C20H26N2O3/c1-13-11-15(13)19(23)21-8-5-14-12-22-17-4-2-3-16(18(14)17)20(24)6-9-25-10-7-20/h2-4,12-13,15,22,24H,5-11H2,1H3,(H,21,23)/t13-,15-/m0/s1
InChIKeyHZHAWUQIVXELRR-ZFWWWQNUSA-N
MW342.44 g/mol
LogP2.48
Rot. Bonds5

About trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 92583677) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID92583677
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nametrans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12
InChIInChI=1S/C20H26N2O3/c1-13-11-15(13)19(23)21-8-5-14-12-22-17-4-2-3-16(18(14)17)20(24)6-9-25-10-7-20/h2-4,12-13,15,22,24H,5-11H2,1H3,(H,21,23)/t13-,15-/m0/s1
InChIKeyHZHAWUQIVXELRR-ZFWWWQNUSA-N
XLogP2.48
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide
CID 92568271
4-(aminomethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 120931113
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 154785065
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 86888355
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267223
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide (CID 92583677) is trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12.
What is the InChIKey of trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is HZHAWUQIVXELRR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-11-15(13)19(23)21-8-5-14-12-22-17-4-2-3-16(18(14)17)20(24)6-9-25-10-7-20/h2-4,12-13,15,22,24H,5-11H2,1H3,(H,21,23)/t13-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 92583677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).