N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide

C26H34N4O4 — CID 647847

IUPACN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C26H34N4O4/c1-2-34-22-14-7-6-13-21(22)30(19-25(32)28-20-11-4-3-5-12-20)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,13-15,18,20H,2-5,10-12,16-17,19H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyRYRDUGOFWOTODW-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.07
Rot. Bonds11

About N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 647847) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID647847
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1
InChIInChI=1S/C26H34N4O4/c1-2-34-22-14-7-6-13-21(22)30(19-25(32)28-20-11-4-3-5-12-20)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,13-15,18,20H,2-5,10-12,16-17,19H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyRYRDUGOFWOTODW-UHFFFAOYSA-N
XLogP4.07
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide (CID 647847) is N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide is CCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is RYRDUGOFWOTODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-2-34-22-14-7-6-13-21(22)30(19-25(32)28-20-11-4-3-5-12-20)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,13-15,18,20H,2-5,10-12,16-17,19H2,1H3,(H,28,32)(H,27,29,31).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 466.58 g/mol, XLogP of 4.07, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 647847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).