1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea

C22H29N3O3 — CID 36524900

IUPAC1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
SMILESO=C(NCCCOc1ccccc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H29N3O3/c26-22(23-11-6-14-28-21-9-2-1-3-10-21)24-17-19-7-4-5-8-20(19)18-25-12-15-27-16-13-25/h1-5,7-10H,6,11-18H2,(H2,23,24,26)
InChIKeyBVSKAISIOBFQPQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.79
Rot. Bonds9

About 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea

1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea (PubChem CID 36524900) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea.

Molecular Properties

Compound Name1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
PubChem CID36524900
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
SMILESO=C(NCCCOc1ccccc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H29N3O3/c26-22(23-11-6-14-28-21-9-2-1-3-10-21)24-17-19-7-4-5-8-20(19)18-25-12-15-27-16-13-25/h1-5,7-10H,6,11-18H2,(H2,23,24,26)
InChIKeyBVSKAISIOBFQPQ-UHFFFAOYSA-N
XLogP2.79
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743958
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55578136
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60610794
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 35973686
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914351

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea?
The IUPAC name of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea (CID 36524900) is 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea.
What is the SMILES notation for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea?
The canonical SMILES for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea is O=C(NCCCOc1ccccc1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea?
The InChIKey is BVSKAISIOBFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-22(23-11-6-14-28-21-9-2-1-3-10-21)24-17-19-7-4-5-8-20(19)18-25-12-15-27-16-13-25/h1-5,7-10H,6,11-18H2,(H2,23,24,26).
What are the key properties of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea?
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea has a molecular weight of 383.49 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea is sourced from PubChem (CID 36524900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).