N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide

C18H24N2O2 — CID 131915701

IUPACN-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCOCC1)C1CC=CCC1
InChIInChI=1S/C18H24N2O2/c21-18(15-6-2-1-3-7-15)19-17-9-5-4-8-16(17)14-20-10-12-22-13-11-20/h1-2,4-5,8-9,15H,3,6-7,10-14H2,(H,19,21)
InChIKeyWIVQUWFMVFOZIS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide

N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 131915701) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID131915701
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCOCC1)C1CC=CCC1
InChIInChI=1S/C18H24N2O2/c21-18(15-6-2-1-3-7-15)19-17-9-5-4-8-16(17)14-20-10-12-22-13-11-20/h1-2,4-5,8-9,15H,3,6-7,10-14H2,(H,19,21)
InChIKeyWIVQUWFMVFOZIS-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
CID 25347228
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
N-[2-(3,3,3-trifluoropropyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 71921099
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131936486
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629287
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629288
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 45020582
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 131915701) is N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1ccccc1CN1CCOCC1)C1CC=CCC1.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WIVQUWFMVFOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18(15-6-2-1-3-7-15)19-17-9-5-4-8-16(17)14-20-10-12-22-13-11-20/h1-2,4-5,8-9,15H,3,6-7,10-14H2,(H,19,21).
What are the key properties of N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 131915701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).