N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide

C24H27N3O3 — CID 25170469

IUPACN-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](c1c[nH]c2ccccc12)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-24(2,3)22(28)26-21(18-13-25-19-12-8-7-11-17(18)19)20-15-30-23(29)27(20)14-16-9-5-4-6-10-16/h4-13,20-21,25H,14-15H2,1-3H3,(H,26,28)/t20-,21-/m1/s1
InChIKeyHUPQPNQSHCTMAD-NHCUHLMSSA-N
MW405.50 g/mol
LogP4.39
Rot. Bonds5

About N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide

N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 25170469) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID25170469
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](c1c[nH]c2ccccc12)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-24(2,3)22(28)26-21(18-13-25-19-12-8-7-11-17(18)19)20-15-30-23(29)27(20)14-16-9-5-4-6-10-16/h4-13,20-21,25H,14-15H2,1-3H3,(H,26,28)/t20-,21-/m1/s1
InChIKeyHUPQPNQSHCTMAD-NHCUHLMSSA-N
XLogP4.39
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
5-bromo-6-chloro-3-(1H-indol-3-yl)octanoic acid
CID 67285080
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 22557151
(3R)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93122656
N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine
CID 59906439
2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid
CID 83557663
2-(1H-indol-3-yl)butanedioic acid
CID 588708

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide (CID 25170469) is N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H](c1c[nH]c2ccccc12)[C@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is HUPQPNQSHCTMAD-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-24(2,3)22(28)26-21(18-13-25-19-12-8-7-11-17(18)19)20-15-30-23(29)27(20)14-16-9-5-4-6-10-16/h4-13,20-21,25H,14-15H2,1-3H3,(H,26,28)/t20-,21-/m1/s1.
What are the key properties of N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 405.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]-(1H-indol-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25170469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).