N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide

C18H26N2O2 — CID 110405120

IUPACN-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-18(16-4-2-1-3-5-16)19-14-15-6-8-17(9-7-15)20-10-12-22-13-11-20/h6-9,16H,1-5,10-14H2,(H,19,21)
InChIKeyQCIGRLWMJJJWMZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.72
Rot. Bonds4

About N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide

N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide (PubChem CID 110405120) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
PubChem CID110405120
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-18(16-4-2-1-3-5-16)19-14-15-6-8-17(9-7-15)20-10-12-22-13-11-20/h6-9,16H,1-5,10-14H2,(H,19,21)
InChIKeyQCIGRLWMJJJWMZ-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45174365
1-benzylsulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 28636356
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115689
N-[(4-morpholin-4-ylphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 83278309
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110405067
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide (CID 110405120) is N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is QCIGRLWMJJJWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(16-4-2-1-3-5-16)19-14-15-6-8-17(9-7-15)20-10-12-22-13-11-20/h6-9,16H,1-5,10-14H2,(H,19,21).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110405120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).