(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide

C15H23N3O — CID 110837782

IUPAC(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H23N3O/c1-10(2)8-13(16)15(19)17-12-4-5-14-11(9-12)6-7-18(14)3/h4-5,9-10,13H,6-8,16H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyJLJPUSMNKFJAPA-CYBMUJFWSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds4

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

(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide (PubChem CID 110837782) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
PubChem CID110837782
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H23N3O/c1-10(2)8-13(16)15(19)17-12-4-5-14-11(9-12)6-7-18(14)3/h4-5,9-10,13H,6-8,16H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyJLJPUSMNKFJAPA-CYBMUJFWSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide (CID 110837782) is (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide?
The InChIKey is JLJPUSMNKFJAPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)8-13(16)15(19)17-12-4-5-14-11(9-12)6-7-18(14)3/h4-5,9-10,13H,6-8,16H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide?
(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide has a molecular weight of 261.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide is sourced from PubChem (CID 110837782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).