1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea

C22H27N3O4 — CID 110614452

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCOc1ccccc1CCNC(=O)Nc1cccc(C(=O)N2CCOCC2C)c1
InChIInChI=1S/C22H27N3O4/c1-16-15-29-13-12-25(16)21(26)18-7-5-8-19(14-18)24-22(27)23-11-10-17-6-3-4-9-20(17)28-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyVLKHIIKJRXOKDR-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea

1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea (PubChem CID 110614452) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
PubChem CID110614452
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCOc1ccccc1CCNC(=O)Nc1cccc(C(=O)N2CCOCC2C)c1
InChIInChI=1S/C22H27N3O4/c1-16-15-29-13-12-25(16)21(26)18-7-5-8-19(14-18)24-22(27)23-11-10-17-6-3-4-9-20(17)28-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyVLKHIIKJRXOKDR-UHFFFAOYSA-N
XLogP2.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 970948
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110671836
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea (CID 110614452) is 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea is COc1ccccc1CCNC(=O)Nc1cccc(C(=O)N2CCOCC2C)c1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The InChIKey is VLKHIIKJRXOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-15-29-13-12-25(16)21(26)18-7-5-8-19(14-18)24-22(27)23-11-10-17-6-3-4-9-20(17)28-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea?
1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea has a molecular weight of 397.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 110614452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).