4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

C21H29N3O3 — CID 109144996

IUPAC4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C21H29N3O3/c1-2-11-22-20(25)16-7-9-17(10-8-16)21(26)23-18-5-3-4-6-19(18)24-12-14-27-15-13-24/h2-6,16-17H,1,7-15H2,(H,22,25)(H,23,26)
InChIKeyBWHVUCSLRKLKCU-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.57
Rot. Bonds6

About 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (PubChem CID 109144996) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
PubChem CID109144996
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C21H29N3O3/c1-2-11-22-20(25)16-7-9-17(10-8-16)21(26)23-18-5-3-4-6-19(18)24-12-14-27-15-13-24/h2-6,16-17H,1,7-15H2,(H,22,25)(H,23,26)
InChIKeyBWHVUCSLRKLKCU-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
CID 112988851
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982441
N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
CID 112988829
methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109144986
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182780

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (CID 109144996) is 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is C=CCNC(=O)C1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The InChIKey is BWHVUCSLRKLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-11-22-20(25)16-7-9-17(10-8-16)21(26)23-18-5-3-4-6-19(18)24-12-14-27-15-13-24/h2-6,16-17H,1,7-15H2,(H,22,25)(H,23,26).
What are the key properties of 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).