1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea

C20H23N3O3 — CID 110352798

IUPAC1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-20(2)14-26-13-12-23(20)18(24)15-8-10-17(11-9-15)22-19(25)21-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H2,21,22,25)
InChIKeyCVNQRQFLYHTZCV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.58
Rot. Bonds3

About 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea

1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea (PubChem CID 110352798) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
PubChem CID110352798
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-20(2)14-26-13-12-23(20)18(24)15-8-10-17(11-9-15)22-19(25)21-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H2,21,22,25)
InChIKeyCVNQRQFLYHTZCV-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
CID 51095578
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 110352809
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea (CID 110352798) is 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea is CC1(C)COCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea?
The InChIKey is CVNQRQFLYHTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(2)14-26-13-12-23(20)18(24)15-8-10-17(11-9-15)22-19(25)21-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea?
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea has a molecular weight of 353.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea is sourced from PubChem (CID 110352798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).