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

C23H31N3O3 — CID 60548027

IUPAC1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCCC(NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H31N3O3/c1-3-22(20-7-9-21(28-2)10-8-20)25-23(27)24-16-18-5-4-6-19(15-18)17-26-11-13-29-14-12-26/h4-10,15,22H,3,11-14,16-17H2,1-2H3,(H2,24,25,27)
InChIKeySKTXKCOXCXSEIA-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.48
Rot. Bonds8

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

1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 60548027) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID60548027
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCCC(NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H31N3O3/c1-3-22(20-7-9-21(28-2)10-8-20)25-23(27)24-16-18-5-4-6-19(15-18)17-26-11-13-29-14-12-26/h4-10,15,22H,3,11-14,16-17H2,1-2H3,(H2,24,25,27)
InChIKeySKTXKCOXCXSEIA-UHFFFAOYSA-N
XLogP3.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55923362
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 60592573
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108898313
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548774
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 60548027) is 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is CCC(NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is SKTXKCOXCXSEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-22(20-7-9-21(28-2)10-8-20)25-23(27)24-16-18-5-4-6-19(15-18)17-26-11-13-29-14-12-26/h4-10,15,22H,3,11-14,16-17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 397.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 60548027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).