N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide

C19H25N3O3 — CID 46948542

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCCC1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C19H25N3O3/c1-4-17(24)22-10-5-9-19(22,3)18(25)20-15-6-7-16-14(12-15)8-11-21(16)13(2)23/h6-7,12H,4-5,8-11H2,1-3H3,(H,20,25)
InChIKeyZVJPUCQSDYAFTL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.33
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 46948542) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
PubChem CID46948542
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCCC1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C19H25N3O3/c1-4-17(24)22-10-5-9-19(22,3)18(25)20-15-6-7-16-14(12-15)8-11-21(16)13(2)23/h6-7,12H,4-5,8-11H2,1-3H3,(H,20,25)
InChIKeyZVJPUCQSDYAFTL-UHFFFAOYSA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
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N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide
CID 119312870
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
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CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide (CID 46948542) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CCCC1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is ZVJPUCQSDYAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-17(24)22-10-5-9-19(22,3)18(25)20-15-6-7-16-14(12-15)8-11-21(16)13(2)23/h6-7,12H,4-5,8-11H2,1-3H3,(H,20,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 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-methyl-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46948542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).