(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide

C17H21N3O3 — CID 102060674

IUPAC(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide
SMILESCCNC(=O)N1[C@H](Cc2c[nH]c3ccccc23)C(=O)OC1(C)C
InChIInChI=1S/C17H21N3O3/c1-4-18-16(22)20-14(15(21)23-17(20,2)3)9-11-10-19-13-8-6-5-7-12(11)13/h5-8,10,14,19H,4,9H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyCEFUVUDJWUBCAY-CQSZACIVSA-N
MW315.37 g/mol
LogP2.40
Rot. Bonds3

About (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide

(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 102060674) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID102060674
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide
SMILESCCNC(=O)N1[C@H](Cc2c[nH]c3ccccc23)C(=O)OC1(C)C
InChIInChI=1S/C17H21N3O3/c1-4-18-16(22)20-14(15(21)23-17(20,2)3)9-11-10-19-13-8-6-5-7-12(11)13/h5-8,10,14,19H,4,9H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyCEFUVUDJWUBCAY-CQSZACIVSA-N
XLogP2.40
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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Related Compounds

(5S)-1-acetyl-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 56949628
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15220945
CID 25209732
CID 25209732
2-(ethylsulfamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 114805226
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
9H-fluoren-9-ylmethyl (4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 165340462
3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 90443800
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
(4S)-5,5-dibutyl-3-[(3S)-3-chlorobutanoyl]-4-(1H-indol-3-ylmethyl)-1,3-oxazolidin-2-one
CID 23259826
1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733059

Frequently Asked Questions

What is the IUPAC name of (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide (CID 102060674) is (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide is CCNC(=O)N1[C@H](Cc2c[nH]c3ccccc23)C(=O)OC1(C)C.
What is the InChIKey of (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is CEFUVUDJWUBCAY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-18-16(22)20-14(15(21)23-17(20,2)3)9-11-10-19-13-8-6-5-7-12(11)13/h5-8,10,14,19H,4,9H2,1-3H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide?
(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 102060674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).