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

C17H25N3O3 — CID 110614358

IUPAC1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)10-18-17(22)19-15-6-4-14(5-7-15)16(21)20-8-9-23-11-13(20)3/h4-7,12-13H,8-11H2,1-3H3,(H2,18,19,22)
InChIKeyACVLDSLIKIGOAV-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.33
Rot. Bonds4

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

1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea (PubChem CID 110614358) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
PubChem CID110614358
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)10-18-17(22)19-15-6-4-14(5-7-15)16(21)20-8-9-23-11-13(20)3/h4-7,12-13H,8-11H2,1-3H3,(H2,18,19,22)
InChIKeyACVLDSLIKIGOAV-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110614361
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea (CID 110614358) is 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1.
What is the InChIKey of 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea?
The InChIKey is ACVLDSLIKIGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)10-18-17(22)19-15-6-4-14(5-7-15)16(21)20-8-9-23-11-13(20)3/h4-7,12-13H,8-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea?
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea has a molecular weight of 319.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 110614358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).