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

C18H27N3O3 — CID 110671803

IUPAC1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-13-11-24-10-9-21(13)16(22)14-5-7-15(8-6-14)20-17(23)19-12-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H2,19,20,23)
InChIKeyOJUNPZZTPGAMPX-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.72
Rot. Bonds3

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

1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea (PubChem CID 110671803) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
PubChem CID110671803
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-13-11-24-10-9-21(13)16(22)14-5-7-15(8-6-14)20-17(23)19-12-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H2,19,20,23)
InChIKeyOJUNPZZTPGAMPX-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.72
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-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
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]-4-pyrrol-1-ylbenzamide
CID 110619227
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110614361
2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea (CID 110671803) is 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea is CC1COCCN1C(=O)c1ccc(NC(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
The InChIKey is OJUNPZZTPGAMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-11-24-10-9-21(13)16(22)14-5-7-15(8-6-14)20-17(23)19-12-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea?
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea has a molecular weight of 333.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 110671803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).