1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea

C16H22ClN3O3 — CID 110348760

IUPAC1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H22ClN3O3/c1-11(2)14(15(21)20-7-9-23-10-8-20)19-16(22)18-13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,22)/t14-/m0/s1
InChIKeyQJYTYEFWGKDEGY-AWEZNQCLSA-N
MW339.82 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea

1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea (PubChem CID 110348760) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
PubChem CID110348760
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H22ClN3O3/c1-11(2)14(15(21)20-7-9-23-10-8-20)19-16(22)18-13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,22)/t14-/m0/s1
InChIKeyQJYTYEFWGKDEGY-AWEZNQCLSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
CID 71858414
N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide
CID 95975366
methyl 2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3992896
methyl (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 946676
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
1-(4-chlorophenyl)-3-[3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 68647005
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111013
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
1-(4-chlorophenyl)-3-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 110285689
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711692

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea (CID 110348760) is 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea is CC(C)[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea?
The InChIKey is QJYTYEFWGKDEGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-11(2)14(15(21)20-7-9-23-10-8-20)19-16(22)18-13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,22)/t14-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea?
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea has a molecular weight of 339.82 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 110348760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).