1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea

C17H24ClN3O3 — CID 71858414

IUPAC1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
SMILESCc1ccc(NC(=O)NC(C(=O)N2CCOCC2)C(C)C)cc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-11(2)15(16(22)21-6-8-24-9-7-21)20-17(23)19-13-5-4-12(3)14(18)10-13/h4-5,10-11,15H,6-9H2,1-3H3,(H2,19,20,23)
InChIKeyOGPBDBKBIZHOKL-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea

1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea (PubChem CID 71858414) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
PubChem CID71858414
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
SMILESCc1ccc(NC(=O)NC(C(=O)N2CCOCC2)C(C)C)cc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-11(2)15(16(22)21-6-8-24-9-7-21)20-17(23)19-13-5-4-12(3)14(18)10-13/h4-5,10-11,15H,6-9H2,1-3H3,(H2,19,20,23)
InChIKeyOGPBDBKBIZHOKL-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
CID 110348760
N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide
CID 95975366
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3-chloro-4-methylphenyl)-4-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxamide
CID 55769078
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
1-(3-bromophenyl)-3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)urea
CID 42698489
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
1-(3-chloro-4-methylphenyl)-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95313168

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea (CID 71858414) is 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea is Cc1ccc(NC(=O)NC(C(=O)N2CCOCC2)C(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
The InChIKey is OGPBDBKBIZHOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-11(2)15(16(22)21-6-8-24-9-7-21)20-17(23)19-13-5-4-12(3)14(18)10-13/h4-5,10-11,15H,6-9H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea has a molecular weight of 353.85 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea is sourced from PubChem (CID 71858414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).