1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea

C23H31N3O3 — CID 47749300

IUPAC1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea
SMILESCCOCc1ccccc1NC(=O)NCc1cccc(CN2CCOC(C)C2)c1
InChIInChI=1S/C23H31N3O3/c1-3-28-17-21-9-4-5-10-22(21)25-23(27)24-14-19-7-6-8-20(13-19)16-26-11-12-29-18(2)15-26/h4-10,13,18H,3,11-12,14-17H2,1-2H3,(H2,24,25,27)
InChIKeyPUEIUUKRDHGJCG-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.77
Rot. Bonds8

About 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea

1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea (PubChem CID 47749300) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea
PubChem CID47749300
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea
SMILESCCOCc1ccccc1NC(=O)NCc1cccc(CN2CCOC(C)C2)c1
InChIInChI=1S/C23H31N3O3/c1-3-28-17-21-9-4-5-10-22(21)25-23(27)24-14-19-7-6-8-20(13-19)16-26-11-12-29-18(2)15-26/h4-10,13,18H,3,11-12,14-17H2,1-2H3,(H2,24,25,27)
InChIKeyPUEIUUKRDHGJCG-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 52509866
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 47900135
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
CID 47900404
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111881580
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
1-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[4-(tetrazol-1-yl)phenyl]urea
CID 95347485
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea (CID 47749300) is 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea is CCOCc1ccccc1NC(=O)NCc1cccc(CN2CCOC(C)C2)c1.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea?
The InChIKey is PUEIUUKRDHGJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-28-17-21-9-4-5-10-22(21)25-23(27)24-14-19-7-6-8-20(13-19)16-26-11-12-29-18(2)15-26/h4-10,13,18H,3,11-12,14-17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea?
1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea has a molecular weight of 397.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 47749300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).