(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide

C17H24N4O2 — CID 119764210

IUPAC(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)[C@@H](N)CC(C)C)cc21
InChIInChI=1S/C17H24N4O2/c1-11(2)8-14(18)17(23)20-13-5-4-12-6-7-21(15(12)9-13)10-16(22)19-3/h4-7,9,11,14H,8,10,18H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyJJNAOVWMYHRAKP-AWEZNQCLSA-N
MW316.41 g/mol
LogP1.70
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide

(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide (PubChem CID 119764210) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
PubChem CID119764210
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)[C@@H](N)CC(C)C)cc21
InChIInChI=1S/C17H24N4O2/c1-11(2)8-14(18)17(23)20-13-5-4-12-6-7-21(15(12)9-13)10-16(22)19-3/h4-7,9,11,14H,8,10,18H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyJJNAOVWMYHRAKP-AWEZNQCLSA-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 (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide (CID 119764210) is (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide is CNC(=O)Cn1ccc2ccc(NC(=O)[C@@H](N)CC(C)C)cc21.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
The InChIKey is JJNAOVWMYHRAKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)8-14(18)17(23)20-13-5-4-12-6-7-21(15(12)9-13)10-16(22)19-3/h4-7,9,11,14H,8,10,18H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide?
(2S)-2-amino-4-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 (2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide is sourced from PubChem (CID 119764210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).