N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide

C22H23N3O3 — CID 35389393

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cc1N1CCCC1=O
InChIInChI=1S/C22H23N3O3/c1-13-14(2)23-21-16(13)6-4-7-17(21)22(27)24-15-9-10-19(28-3)18(12-15)25-11-5-8-20(25)26/h4,6-7,9-10,12,23H,5,8,11H2,1-3H3,(H,24,27)
InChIKeyJAFAZDUOPPKLHH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.17
Rot. Bonds4

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 35389393) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID35389393
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cc1N1CCCC1=O
InChIInChI=1S/C22H23N3O3/c1-13-14(2)23-21-16(13)6-4-7-17(21)22(27)24-15-9-10-19(28-3)18(12-15)25-11-5-8-20(25)26/h4,6-7,9-10,12,23H,5,8,11H2,1-3H3,(H,24,27)
InChIKeyJAFAZDUOPPKLHH-UHFFFAOYSA-N
XLogP4.17
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 35389393) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide is COc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is JAFAZDUOPPKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-14(2)23-21-16(13)6-4-7-17(21)22(27)24-15-9-10-19(28-3)18(12-15)25-11-5-8-20(25)26/h4,6-7,9-10,12,23H,5,8,11H2,1-3H3,(H,24,27).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 35389393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).