N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide

C22H29N3O2 — CID 90511650

IUPACN-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c1-15(2)25(17-8-4-3-5-9-17)21(26)16-13-24(14-16)22(27)19-12-23-20-11-7-6-10-18(19)20/h6-7,10-12,15-17,23H,3-5,8-9,13-14H2,1-2H3
InChIKeyAVRNLUXMFSWYNY-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.81
Rot. Bonds4

About N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide

N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide (PubChem CID 90511650) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide
PubChem CID90511650
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c1-15(2)25(17-8-4-3-5-9-17)21(26)16-13-24(14-16)22(27)19-12-23-20-11-7-6-10-18(19)20/h6-7,10-12,15-17,23H,3-5,8-9,13-14H2,1-2H3
InChIKeyAVRNLUXMFSWYNY-UHFFFAOYSA-N
XLogP3.81
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
CID 90511743
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
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
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888882

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide (CID 90511650) is N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide is CC(C)N(C(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide?
The InChIKey is AVRNLUXMFSWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)25(17-8-4-3-5-9-17)21(26)16-13-24(14-16)22(27)19-12-23-20-11-7-6-10-18(19)20/h6-7,10-12,15-17,23H,3-5,8-9,13-14H2,1-2H3.
What are the key properties of N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide?
N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide is sourced from PubChem (CID 90511650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).