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

C18H26ClN3O3 — CID 110305706

IUPAC1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea
SMILESCC(C)C[C@H](NC(=O)NCc1cccc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C18H26ClN3O3/c1-13(2)10-16(17(23)22-6-8-25-9-7-22)21-18(24)20-12-14-4-3-5-15(19)11-14/h3-5,11,13,16H,6-10,12H2,1-2H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyLQJLRWOSEOMJIP-INIZCTEOSA-N
MW367.88 g/mol
LogP2.41
Rot. Bonds6

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

1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea (PubChem CID 110305706) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea
PubChem CID110305706
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea
SMILESCC(C)C[C@H](NC(=O)NCc1cccc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C18H26ClN3O3/c1-13(2)10-16(17(23)22-6-8-25-9-7-22)21-18(24)20-12-14-4-3-5-15(19)11-14/h3-5,11,13,16H,6-10,12H2,1-2H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyLQJLRWOSEOMJIP-INIZCTEOSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547
4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305687
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
3-[2-(benzylamino)-1-[(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid
CID 66693277
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
2-[(3-chlorophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 62533963
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
1-[(3-chlorophenyl)methyl]-3-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethyl)urea
CID 138015942
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide
CID 110313233
[(1R)-1-[[(2S)-2-[[(2S)-2-(benzylcarbamoylamino)-3-(3-chlorophenyl)propanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]boronic acid
CID 176661833
N-[(3-chlorophenyl)methyl]-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 91833492

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea (CID 110305706) is 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea is CC(C)C[C@H](NC(=O)NCc1cccc(Cl)c1)C(=O)N1CCOCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea?
The InChIKey is LQJLRWOSEOMJIP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-13(2)10-16(17(23)22-6-8-25-9-7-22)21-18(24)20-12-14-4-3-5-15(19)11-14/h3-5,11,13,16H,6-10,12H2,1-2H3,(H2,20,21,24)/t16-/m0/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea?
1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea has a molecular weight of 367.88 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 110305706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).