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

C17H25N3O3 — CID 110614359

IUPAC1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCCC(C)NC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1
InChIInChI=1S/C17H25N3O3/c1-4-12(2)18-17(22)19-15-7-5-14(6-8-15)16(21)20-9-10-23-11-13(20)3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,18,19,22)
InChIKeyZOQRVNBMVNMEJR-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.47
Rot. Bonds4

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

1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea (PubChem CID 110614359) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
PubChem CID110614359
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCCC(C)NC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1
InChIInChI=1S/C17H25N3O3/c1-4-12(2)18-17(22)19-15-7-5-14(6-8-15)16(21)20-9-10-23-11-13(20)3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,18,19,22)
InChIKeyZOQRVNBMVNMEJR-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
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
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793
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-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea (CID 110614359) is 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea is CCC(C)NC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1.
What is the InChIKey of 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The InChIKey is ZOQRVNBMVNMEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-12(2)18-17(22)19-15-7-5-14(6-8-15)16(21)20-9-10-23-11-13(20)3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea has a molecular weight of 319.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 110614359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).