N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride

C16H24ClN3O2 — CID 119690438

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-4-10(2)15(17)16(21)18-13-5-6-14-12(9-13)7-8-19(14)11(3)20;/h5-6,9-10,15H,4,7-8,17H2,1-3H3,(H,18,21);1H
InChIKeyXRZDYELUXJQUGA-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.33
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride (PubChem CID 119690438) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
PubChem CID119690438
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-4-10(2)15(17)16(21)18-13-5-6-14-12(9-13)7-8-19(14)11(3)20;/h5-6,9-10,15H,4,7-8,17H2,1-3H3,(H,18,21);1H
InChIKeyXRZDYELUXJQUGA-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride (CID 119690438) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride?
The InChIKey is XRZDYELUXJQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-4-10(2)15(17)16(21)18-13-5-6-14-12(9-13)7-8-19(14)11(3)20;/h5-6,9-10,15H,4,7-8,17H2,1-3H3,(H,18,21);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119690438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).