N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide

C21H32N2O3 — CID 29214226

IUPACN-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCOc1ccc(CN2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c24-21(19-5-2-1-3-6-19)22-11-4-14-26-20-9-7-18(8-10-20)17-23-12-15-25-16-13-23/h7-10,19H,1-6,11-17H2,(H,22,24)
InChIKeyNUFMWWKUPHOMNZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.98
Rot. Bonds8

About N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide

N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide (PubChem CID 29214226) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
PubChem CID29214226
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCOc1ccc(CN2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c24-21(19-5-2-1-3-6-19)22-11-4-14-26-20-9-7-18(8-10-20)17-23-12-15-25-16-13-23/h7-10,19H,1-6,11-17H2,(H,22,24)
InChIKeyNUFMWWKUPHOMNZ-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 26353443
1-tert-butyl-3-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 10089065
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 38103352
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134094205
4-[4-[3-(cyclopentanecarbonylamino)propoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186395
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 45248375
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]cyclopropanecarboxamide
CID 39994439

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide (CID 29214226) is N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide is O=C(NCCCOc1ccc(CN2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide?
The InChIKey is NUFMWWKUPHOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-21(19-5-2-1-3-6-19)22-11-4-14-26-20-9-7-18(8-10-20)17-23-12-15-25-16-13-23/h7-10,19H,1-6,11-17H2,(H,22,24).
What are the key properties of N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide?
N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 29214226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).