N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide

C16H21N3O2 — CID 66267223

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-17-15-10-21-9-13(15)16(20)18-7-6-11-8-19-14-5-3-2-4-12(11)14/h2-5,8,13,15,17,19H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyPLKDSKQCJYJTKV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.06
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267223) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267223
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-17-15-10-21-9-13(15)16(20)18-7-6-11-8-19-14-5-3-2-4-12(11)14/h2-5,8,13,15,17,19H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyPLKDSKQCJYJTKV-UHFFFAOYSA-N
XLogP1.06
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
1-N-(2-ethylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138520
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
2-N-[2-(1H-indol-3-yl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138505
(3S,4S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-N,4-N-bis[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 56663377
(3S,4S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-N,4-N-bis[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 56659909
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide (CID 66267223) is N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is PLKDSKQCJYJTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-15-10-21-9-13(15)16(20)18-7-6-11-8-19-14-5-3-2-4-12(11)14/h2-5,8,13,15,17,19H,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).