2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide

C17H24N4O2 — CID 119764196

IUPAC2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1
InChIInChI=1S/C17H24N4O2/c1-4-11(2)16(18)17(23)20-13-6-5-12-7-8-21(14(12)9-13)10-15(22)19-3/h5-9,11,16H,4,10,18H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyDFMSQXRNAMEKIN-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.70
Rot. Bonds6

About 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide

2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide (PubChem CID 119764196) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
PubChem CID119764196
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1
InChIInChI=1S/C17H24N4O2/c1-4-11(2)16(18)17(23)20-13-6-5-12-7-8-21(14(12)9-13)10-15(22)19-3/h5-9,11,16H,4,10,18H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyDFMSQXRNAMEKIN-UHFFFAOYSA-N
XLogP1.70
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide (CID 119764196) is 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide is CCC(C)C(N)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1.
What is the InChIKey of 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
The InChIKey is DFMSQXRNAMEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-11(2)16(18)17(23)20-13-6-5-12-7-8-21(14(12)9-13)10-15(22)19-3/h5-9,11,16H,4,10,18H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide has a molecular weight of 316.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide is sourced from PubChem (CID 119764196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).