N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide

C22H25N3O2 — CID 129375242

IUPACN-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C22H25N3O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h4-12,14,19H,13H2,1-3H3,(H2,23,26)(H,24,27)/t19-/m0/s1
InChIKeyOGVITAUBEIIKNT-IBGZPJMESA-N
MW363.46 g/mol
LogP3.32
Rot. Bonds5

About N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide

N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide (PubChem CID 129375242) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
PubChem CID129375242
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C22H25N3O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h4-12,14,19H,13H2,1-3H3,(H2,23,26)(H,24,27)/t19-/m0/s1
InChIKeyOGVITAUBEIIKNT-IBGZPJMESA-N
XLogP3.32
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
CID 132988665
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
1-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxamide
CID 97329350
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
CID 24625616
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 58124600

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide (CID 129375242) is N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide is CC(C)(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide?
The InChIKey is OGVITAUBEIIKNT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h4-12,14,19H,13H2,1-3H3,(H2,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide?
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide is sourced from PubChem (CID 129375242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).