1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

C21H30N4O2 — CID 86999564

IUPAC1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
SMILESCN(Cc1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H30N4O2/c1-24(16-19-7-5-6-18(14-19)15-22)20(26)23-17-21(8-3-2-4-9-21)25-10-12-27-13-11-25/h5-7,14H,2-4,8-13,16-17H2,1H3,(H,23,26)
InChIKeyTXEMHKRICOLLCB-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.73
Rot. Bonds5

About 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea (PubChem CID 86999564) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
PubChem CID86999564
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
SMILESCN(Cc1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H30N4O2/c1-24(16-19-7-5-6-18(14-19)15-22)20(26)23-17-21(8-3-2-4-9-21)25-10-12-27-13-11-25/h5-7,14H,2-4,8-13,16-17H2,1H3,(H,23,26)
InChIKeyTXEMHKRICOLLCB-UHFFFAOYSA-N
XLogP2.73
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea with MolForge

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Related Compounds

1-[(3-hydroxyphenyl)methyl]-1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]urea
CID 119061874
1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 87002905
2-[(4-cyanophenyl)methyl-propylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55739550
N-[(3-cyanophenyl)methyl]-N-methylazepane-1-carboxamide
CID 79152015
3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]benzonitrile
CID 95582569
2-[(4-ethylphenyl)methyl-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18087679
1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 87007502
3-[[(3-cyanophenyl)methyl-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428776
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 47056038

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea (CID 86999564) is 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea is CN(Cc1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The InChIKey is TXEMHKRICOLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24(16-19-7-5-6-18(14-19)15-22)20(26)23-17-21(8-3-2-4-9-21)25-10-12-27-13-11-25/h5-7,14H,2-4,8-13,16-17H2,1H3,(H,23,26).
What are the key properties of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea has a molecular weight of 370.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 86999564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).