methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate

C17H22N2O3 — CID 60581935

IUPACmethyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)OC
InChIInChI=1S/C17H22N2O3/c1-5-8-17(3,16(21)22-4)19-15(20)14-10-12-7-6-11(2)9-13(12)18-14/h6-7,9-10,18H,5,8H2,1-4H3,(H,19,20)
InChIKeySEXXYYSYSCKNAL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.94
Rot. Bonds5

About methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate (PubChem CID 60581935) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate
PubChem CID60581935
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)OC
InChIInChI=1S/C17H22N2O3/c1-5-8-17(3,16(21)22-4)19-15(20)14-10-12-7-6-11(2)9-13(12)18-14/h6-7,9-10,18H,5,8H2,1-4H3,(H,19,20)
InChIKeySEXXYYSYSCKNAL-UHFFFAOYSA-N
XLogP2.94
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate
CID 51935103
methyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylpentanoate
CID 43623906
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate (CID 60581935) is methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate?
The InChIKey is SEXXYYSYSCKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-8-17(3,16(21)22-4)19-15(20)14-10-12-7-6-11(2)9-13(12)18-14/h6-7,9-10,18H,5,8H2,1-4H3,(H,19,20).
What are the key properties of methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate has a molecular weight of 302.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 60581935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).