1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea

C22H29N3O2 — CID 112838284

IUPAC1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-4-18-7-9-21(10-8-18)24-22(26)23-16-19-5-3-6-20(15-19)17-25-11-13-27-14-12-25/h3,5-10,15H,2,4,11-14,16-17H2,1H3,(H2,23,24,26)
InChIKeyQPKLONIDIHSQPI-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.79
Rot. Bonds7

About 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea

1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea (PubChem CID 112838284) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea.

Molecular Properties

Compound Name1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
PubChem CID112838284
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-4-18-7-9-21(10-8-18)24-22(26)23-16-19-5-3-6-20(15-19)17-25-11-13-27-14-12-25/h3,5-10,15H,2,4,11-14,16-17H2,1H3,(H2,23,24,26)
InChIKeyQPKLONIDIHSQPI-UHFFFAOYSA-N
XLogP3.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902460
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886855
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 43917914
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea?
The IUPAC name of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea (CID 112838284) is 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea.
What is the SMILES notation for 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea?
The canonical SMILES for 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea is CCCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea?
The InChIKey is QPKLONIDIHSQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-4-18-7-9-21(10-8-18)24-22(26)23-16-19-5-3-6-20(15-19)17-25-11-13-27-14-12-25/h3,5-10,15H,2,4,11-14,16-17H2,1H3,(H2,23,24,26).
What are the key properties of 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea?
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea has a molecular weight of 367.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea is sourced from PubChem (CID 112838284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).