N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide

C22H23N3O2 — CID 154866524

IUPACN-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide
SMILESCc1cccc2c(CCNC(=O)c3ccc(C4CCC(=O)N4)cc3)c[nH]c12
InChIInChI=1S/C22H23N3O2/c1-14-3-2-4-18-17(13-24-21(14)18)11-12-23-22(27)16-7-5-15(6-8-16)19-9-10-20(26)25-19/h2-8,13,19,24H,9-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyDQZVJZLAEHBAID-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide

N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide (PubChem CID 154866524) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide
PubChem CID154866524
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide
SMILESCc1cccc2c(CCNC(=O)c3ccc(C4CCC(=O)N4)cc3)c[nH]c12
InChIInChI=1S/C22H23N3O2/c1-14-3-2-4-18-17(13-24-21(14)18)11-12-23-22(27)16-7-5-15(6-8-16)19-9-10-20(26)25-19/h2-8,13,19,24H,9-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyDQZVJZLAEHBAID-UHFFFAOYSA-N
XLogP3.40
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240615
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111464836
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
N-[2-(7-methyl-1H-indol-3-yl)ethyl]morpholine-3-carboxamide
CID 119781320

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide?
The IUPAC name of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide (CID 154866524) is N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide is Cc1cccc2c(CCNC(=O)c3ccc(C4CCC(=O)N4)cc3)c[nH]c12.
What is the InChIKey of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide?
The InChIKey is DQZVJZLAEHBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-3-2-4-18-17(13-24-21(14)18)11-12-23-22(27)16-7-5-15(6-8-16)19-9-10-20(26)25-19/h2-8,13,19,24H,9-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide?
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-(5-oxopyrrolidin-2-yl)benzamide is sourced from PubChem (CID 154866524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).