(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide

C16H25N3O — CID 110482520

IUPAC(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H25N3O/c1-11(2)8-14(17)16(20)18-10-12-4-5-15-13(9-12)6-7-19(15)3/h4-5,9,11,14H,6-8,10,17H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyOLDRPPIFOCHNQX-AWEZNQCLSA-N
MW275.40 g/mol
LogP1.67
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide (PubChem CID 110482520) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
PubChem CID110482520
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H25N3O/c1-11(2)8-14(17)16(20)18-10-12-4-5-15-13(9-12)6-7-19(15)3/h4-5,9,11,14H,6-8,10,17H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyOLDRPPIFOCHNQX-AWEZNQCLSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide (CID 110482520) is (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide?
The InChIKey is OLDRPPIFOCHNQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)8-14(17)16(20)18-10-12-4-5-15-13(9-12)6-7-19(15)3/h4-5,9,11,14H,6-8,10,17H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide has a molecular weight of 275.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide is sourced from PubChem (CID 110482520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).