N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

C26H37N3O4 — CID 5036574

IUPACN-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C26H37N3O4/c30-23(18-27-24(31)20-10-3-1-4-11-20)29(19-22-14-9-17-33-22)26(15-7-2-8-16-26)25(32)28-21-12-5-6-13-21/h1,3-4,10-11,21-22H,2,5-9,12-19H2,(H,27,31)(H,28,32)
InChIKeyKQYDVGDCDLWHMJ-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.19
Rot. Bonds8

About N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 5036574) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID5036574
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC NameN-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C26H37N3O4/c30-23(18-27-24(31)20-10-3-1-4-11-20)29(19-22-14-9-17-33-22)26(15-7-2-8-16-26)25(32)28-21-12-5-6-13-21/h1,3-4,10-11,21-22H,2,5-9,12-19H2,(H,27,31)(H,28,32)
InChIKeyKQYDVGDCDLWHMJ-UHFFFAOYSA-N
XLogP3.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
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CID 551361
3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 650258
3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 651329
2-cyclooctyl-3-oxo-N-(tetrahydrofuran-2-ylmethyl)isoindoline-1-carboxamide
CID 3236023
N-(2-{[1-(cyclohexylcarbamoyl)cyclohexyl](tetrahydrofuran-2-ylmethyl)amino}-2-oxoethyl)benzamide
CID 5027420
1-benzoyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459694
1-benzoyl-N-(2-methoxyethyl)-2-methyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
CID 5459722
1-benzoyl-2-methyl-N-(2-morpholin-4-ylethyl)-1-azaspiro[4.5]dec-3-ene-2-carboxamide
CID 5459724
2-(4-ethylbenzyl)-3-oxo-N-(tetrahydrofuran-2-ylmethyl)isoindoline-1-carboxamide
CID 6625050
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
4-iodo-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]benzamide
CID 23625475

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 5036574) is N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is O=C(NCC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is KQYDVGDCDLWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c30-23(18-27-24(31)20-10-3-1-4-11-20)29(19-22-14-9-17-33-22)26(15-7-2-8-16-26)25(32)28-21-12-5-6-13-21/h1,3-4,10-11,21-22H,2,5-9,12-19H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5036574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).