N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide

C26H43N5O4 — CID 91105238

IUPACN-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide
SMILESO=C(NCCCCCC(OCCN1CCOCC1)C(=O)NC1CCCCC1)NCc1ccccn1
InChIInChI=1S/C26H43N5O4/c32-25(30-22-9-3-1-4-10-22)24(35-20-17-31-15-18-34-19-16-31)12-5-2-7-14-28-26(33)29-21-23-11-6-8-13-27-23/h6,8,11,13,22,24H,1-5,7,9-10,12,14-21H2,(H,30,32)(H2,28,29,33)
InChIKeyDDHAOTBXQLCHEO-UHFFFAOYSA-N
MW489.66 g/mol
LogP2.61
Rot. Bonds14

About N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide

N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide (PubChem CID 91105238) has the molecular formula C26H43N5O4 and a molecular weight of 489.66 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide
PubChem CID91105238
Molecular FormulaC26H43N5O4
Molecular Weight489.66 g/mol
Exact Mass489.33
IUPAC NameN-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide
SMILESO=C(NCCCCCC(OCCN1CCOCC1)C(=O)NC1CCCCC1)NCc1ccccn1
InChIInChI=1S/C26H43N5O4/c32-25(30-22-9-3-1-4-10-22)24(35-20-17-31-15-18-34-19-16-31)12-5-2-7-14-28-26(33)29-21-23-11-6-8-13-27-23/h6,8,11,13,22,24H,1-5,7,9-10,12,14-21H2,(H,30,32)(H2,28,29,33)
InChIKeyDDHAOTBXQLCHEO-UHFFFAOYSA-N
XLogP2.61
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide?
The IUPAC name of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide (CID 91105238) is N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide.
What is the SMILES notation for N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide?
The canonical SMILES for N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide is O=C(NCCCCCC(OCCN1CCOCC1)C(=O)NC1CCCCC1)NCc1ccccn1.
What is the InChIKey of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide?
The InChIKey is DDHAOTBXQLCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O4/c32-25(30-22-9-3-1-4-10-22)24(35-20-17-31-15-18-34-19-16-31)12-5-2-7-14-28-26(33)29-21-23-11-6-8-13-27-23/h6,8,11,13,22,24H,1-5,7,9-10,12,14-21H2,(H,30,32)(H2,28,29,33).
What are the key properties of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide?
N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide has a molecular weight of 489.66 g/mol, XLogP of 2.61, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide is sourced from PubChem (CID 91105238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).