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

C20H23N3O3 — CID 110605020

IUPAC1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCC1CN(C(=O)c2cccc(NC(=O)NCc3ccccc3)c2)CCO1
InChIInChI=1S/C20H23N3O3/c1-15-14-23(10-11-26-15)19(24)17-8-5-9-18(12-17)22-20(25)21-13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H2,21,22,25)
InChIKeyDMODSTZYVBFMQG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.87
Rot. Bonds4

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

1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea (PubChem CID 110605020) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
PubChem CID110605020
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCC1CN(C(=O)c2cccc(NC(=O)NCc3ccccc3)c2)CCO1
InChIInChI=1S/C20H23N3O3/c1-15-14-23(10-11-26-15)19(24)17-8-5-9-18(12-17)22-20(25)21-13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H2,21,22,25)
InChIKeyDMODSTZYVBFMQG-UHFFFAOYSA-N
XLogP2.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 110671876
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110426827
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352983
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 84585787
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110614500
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea (CID 110605020) is 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea is CC1CN(C(=O)c2cccc(NC(=O)NCc3ccccc3)c2)CCO1.
What is the InChIKey of 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea?
The InChIKey is DMODSTZYVBFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-14-23(10-11-26-15)19(24)17-8-5-9-18(12-17)22-20(25)21-13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea?
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea has a molecular weight of 353.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 110605020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).