N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide

C18H25N3O3 — CID 129358692

IUPACN-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C18H25N3O3/c1-11(2)8-17(23)20-14(10-16(19)22)18(24)21-12(3)9-13-6-4-5-7-15(13)21/h4-7,11-12,14H,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t12-,14-/m1/s1
InChIKeyRTZPUJMBYCQVHH-TZMCWYRMSA-N
MW331.42 g/mol
LogP1.37
Rot. Bonds6

About N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide

N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide (PubChem CID 129358692) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide
PubChem CID129358692
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C18H25N3O3/c1-11(2)8-17(23)20-14(10-16(19)22)18(24)21-12(3)9-13-6-4-5-7-15(13)21/h4-7,11-12,14H,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t12-,14-/m1/s1
InChIKeyRTZPUJMBYCQVHH-TZMCWYRMSA-N
XLogP1.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
tert-butyl N-[3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]carbamate
CID 110427478
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 104906801
2-[4-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopentan-2-yl]isoindole-1,3-dione
CID 110838972
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766320
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide (CID 129358692) is N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide?
The InChIKey is RTZPUJMBYCQVHH-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(2)8-17(23)20-14(10-16(19)22)18(24)21-12(3)9-13-6-4-5-7-15(13)21/h4-7,11-12,14H,8-10H2,1-3H3,(H2,19,22)(H,20,23)/t12-,14-/m1/s1.
What are the key properties of N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide?
N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide has a molecular weight of 331.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 129358692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).