N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide

C26H43N5O4 — CID 46184344

IUPACN-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide
SMILESO=C(NCCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1
InChIInChI=1S/C26H43N5O4/c32-25(12-6-1-2-7-14-28-26(33)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)35-20-17-30-15-18-34-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,33)
InChIKeyZYULINAHFBKKTD-UHFFFAOYSA-N
MW489.66 g/mol
LogP3.26
Rot. Bonds14

About N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide

N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide (PubChem CID 46184344) has the molecular formula C26H43N5O4 and a molecular weight of 489.66 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide
PubChem CID46184344
Molecular FormulaC26H43N5O4
Molecular Weight489.66 g/mol
Exact Mass489.33
IUPAC NameN-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide
SMILESO=C(NCCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1
InChIInChI=1S/C26H43N5O4/c32-25(12-6-1-2-7-14-28-26(33)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)35-20-17-30-15-18-34-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,33)
InChIKeyZYULINAHFBKKTD-UHFFFAOYSA-N
XLogP3.26
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide?
The IUPAC name of N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide (CID 46184344) is N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide.
What is the SMILES notation for N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide?
The canonical SMILES for N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide is O=C(NCCCCCCC(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1.
What is the InChIKey of N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide?
The InChIKey is ZYULINAHFBKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O4/c32-25(12-6-1-2-7-14-28-26(33)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)35-20-17-30-15-18-34-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,33).
What are the key properties of N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide?
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide has a molecular weight of 489.66 g/mol, XLogP of 3.26, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide is sourced from PubChem (CID 46184344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).