4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide

C15H21N3O — CID 115157504

IUPAC4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
SMILESCc1[nH]c2ccccc2c1NC(=O)CCC(C)(C)N
InChIInChI=1S/C15H21N3O/c1-10-14(11-6-4-5-7-12(11)17-10)18-13(19)8-9-15(2,3)16/h4-7,17H,8-9,16H2,1-3H3,(H,18,19)
InChIKeyPMBGDISLBFNRLN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide

4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide (PubChem CID 115157504) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
PubChem CID115157504
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
SMILESCc1[nH]c2ccccc2c1NC(=O)CCC(C)(C)N
InChIInChI=1S/C15H21N3O/c1-10-14(11-6-4-5-7-12(11)17-10)18-13(19)8-9-15(2,3)16/h4-7,17H,8-9,16H2,1-3H3,(H,18,19)
InChIKeyPMBGDISLBFNRLN-UHFFFAOYSA-N
XLogP2.93
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide?
The IUPAC name of 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide (CID 115157504) is 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide is Cc1[nH]c2ccccc2c1NC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide?
The InChIKey is PMBGDISLBFNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-14(11-6-4-5-7-12(11)17-10)18-13(19)8-9-15(2,3)16/h4-7,17H,8-9,16H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide?
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide is sourced from PubChem (CID 115157504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).