1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

C22H29N3O3 — CID 48638168

IUPAC1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESCCc1cccc(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)c1
InChIInChI=1S/C22H29N3O3/c1-2-18-5-3-7-20(15-18)24-22(26)23-17-19-6-4-8-21(16-19)28-14-11-25-9-12-27-13-10-25/h3-8,15-16H,2,9-14,17H2,1H3,(H2,23,24,26)
InChIKeyFNFVOTCKAANUPC-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.28
Rot. Bonds8

About 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (PubChem CID 48638168) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
PubChem CID48638168
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESCCc1cccc(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)c1
InChIInChI=1S/C22H29N3O3/c1-2-18-5-3-7-20(15-18)24-22(26)23-17-19-6-4-8-21(16-19)28-14-11-25-9-12-27-13-10-25/h3-8,15-16H,2,9-14,17H2,1H3,(H2,23,24,26)
InChIKeyFNFVOTCKAANUPC-UHFFFAOYSA-N
XLogP3.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
1-(4-bromo-2-methylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589914
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589945
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
1-ethyl-3-[3-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 59849671
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111227284
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (CID 48638168) is 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is CCc1cccc(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The InChIKey is FNFVOTCKAANUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-18-5-3-7-20(15-18)24-22(26)23-17-19-6-4-8-21(16-19)28-14-11-25-9-12-27-13-10-25/h3-8,15-16H,2,9-14,17H2,1H3,(H2,23,24,26).
What are the key properties of 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea has a molecular weight of 383.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is sourced from PubChem (CID 48638168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).