N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

C22H23N3O4 — CID 134813227

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C22H23N3O4/c26-19-10-4-2-7-16(19)22(29)25-12-5-9-18(25)21(28)23-14-20(27)24-13-11-15-6-1-3-8-17(15)24/h1-4,6-8,10,18,26H,5,9,11-14H2,(H,23,28)
InChIKeySSQVMTPBKSBMSM-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134813227) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID134813227
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C22H23N3O4/c26-19-10-4-2-7-16(19)22(29)25-12-5-9-18(25)21(28)23-14-20(27)24-13-11-15-6-1-3-8-17(15)24/h1-4,6-8,10,18,26H,5,9,11-14H2,(H,23,28)
InChIKeySSQVMTPBKSBMSM-UHFFFAOYSA-N
XLogP1.70
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide
CID 120791668
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 112502055
1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110857015
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110606137
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119747301

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (CID 134813227) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is O=C(NCC(=O)N1CCc2ccccc21)C1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is SSQVMTPBKSBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-19-10-4-2-7-16(19)22(29)25-12-5-9-18(25)21(28)23-14-20(27)24-13-11-15-6-1-3-8-17(15)24/h1-4,6-8,10,18,26H,5,9,11-14H2,(H,23,28).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134813227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).