1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea

C16H25N3O2 — CID 108897158

IUPAC1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccccc1CNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-14-5-2-3-6-15(14)13-18-16(20)17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6H,4,7-13H2,1H3,(H2,17,18,20)
InChIKeyMQOZIONVNPPOGF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.52
Rot. Bonds6

About 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea

1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 108897158) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID108897158
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccccc1CNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-14-5-2-3-6-15(14)13-18-16(20)17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6H,4,7-13H2,1H3,(H2,17,18,20)
InChIKeyMQOZIONVNPPOGF-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60610794
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 84586646
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea (CID 108897158) is 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea is Cc1ccccc1CNC(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is MQOZIONVNPPOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-5-2-3-6-15(14)13-18-16(20)17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6H,4,7-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 291.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 108897158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).