4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide

C22H31N3O2 — CID 109145446

IUPAC4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H31N3O2/c1-3-15(2)25-22(27)17-10-8-16(9-11-17)21(26)23-13-12-18-14-24-20-7-5-4-6-19(18)20/h4-7,14-17,24H,3,8-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyVMNSBXPCHOKVQG-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.55
Rot. Bonds7

About 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide

4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145446) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145446
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H31N3O2/c1-3-15(2)25-22(27)17-10-8-16(9-11-17)21(26)23-13-12-18-14-24-20-7-5-4-6-19(18)20/h4-7,14-17,24H,3,8-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyVMNSBXPCHOKVQG-UHFFFAOYSA-N
XLogP3.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
1-butan-2-yl-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110944386
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571
N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1,8-dioxodecan-2-yl]-1-methylpiperidine-4-carboxamide
CID 69323257
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109145446) is 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide is CCC(C)NC(=O)C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is VMNSBXPCHOKVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-15(2)25-22(27)17-10-8-16(9-11-17)21(26)23-13-12-18-14-24-20-7-5-4-6-19(18)20/h4-7,14-17,24H,3,8-13H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).