N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide

C22H23N3O2 — CID 90511743

IUPACN-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1)c1cccc(C)c1
InChIInChI=1S/C22H23N3O2/c1-3-25(17-8-6-7-15(2)11-17)21(26)16-13-24(14-16)22(27)19-12-23-20-10-5-4-9-18(19)20/h4-12,16,23H,3,13-14H2,1-2H3
InChIKeyRFJIOZUFLCFYRD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.60
Rot. Bonds4

About N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide

N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide (PubChem CID 90511743) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
PubChem CID90511743
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1)c1cccc(C)c1
InChIInChI=1S/C22H23N3O2/c1-3-25(17-8-6-7-15(2)11-17)21(26)16-13-24(14-16)22(27)19-12-23-20-10-5-4-9-18(19)20/h4-12,16,23H,3,13-14H2,1-2H3
InChIKeyRFJIOZUFLCFYRD-UHFFFAOYSA-N
XLogP3.60
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide
CID 90511650
N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511828
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511783
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide (CID 90511743) is N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide is CCN(C(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide?
The InChIKey is RFJIOZUFLCFYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-25(17-8-6-7-15(2)11-17)21(26)16-13-24(14-16)22(27)19-12-23-20-10-5-4-9-18(19)20/h4-12,16,23H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide?
N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).