N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide

C27H40N2O2 — CID 145207901

IUPACN-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C1CCCCC1)C(C(=O)NC1CCCCC1)C1CCCC1
InChIInChI=1S/C27H40N2O2/c1-20-12-8-11-19-24(20)27(31)29(23-17-6-3-7-18-23)25(21-13-9-10-14-21)26(30)28-22-15-4-2-5-16-22/h8,11-12,19,21-23,25H,2-7,9-10,13-18H2,1H3,(H,28,30)
InChIKeyNZZJYABWDRPIPS-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.78
Rot. Bonds6

About N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide

N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide (PubChem CID 145207901) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
PubChem CID145207901
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC NameN-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C1CCCCC1)C(C(=O)NC1CCCCC1)C1CCCC1
InChIInChI=1S/C27H40N2O2/c1-20-12-8-11-19-24(20)27(31)29(23-17-6-3-7-18-23)25(21-13-9-10-14-21)26(30)28-22-15-4-2-5-16-22/h8,11-12,19,21-23,25H,2-7,9-10,13-18H2,1H3,(H,28,30)
InChIKeyNZZJYABWDRPIPS-UHFFFAOYSA-N
XLogP5.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 157148622
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
N-[5-amino-1-(cyclohexylamino)-1-oxopentan-2-yl]-N-cyclohexyl-2-iodobenzamide
CID 155771405
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
CID 145207801
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide
CID 56518152
tert-butyl N-[2-[cyclobutyl-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18017683
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-propan-2-ylbenzamide;N-tert-butyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methoxybenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-methoxybenzamide
CID 158845424

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide (CID 145207901) is N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)N(C1CCCCC1)C(C(=O)NC1CCCCC1)C1CCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide?
The InChIKey is NZZJYABWDRPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-20-12-8-11-19-24(20)27(31)29(23-17-6-3-7-18-23)25(21-13-9-10-14-21)26(30)28-22-15-4-2-5-16-22/h8,11-12,19,21-23,25H,2-7,9-10,13-18H2,1H3,(H,28,30).
What are the key properties of N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide?
N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide has a molecular weight of 424.63 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 145207901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).