1-benzyl-3-morpholin-4-ylurea

C12H17N3O2 — CID 107653208

IUPAC1-benzyl-3-morpholin-4-ylurea
SMILESO=C(NCc1ccccc1)NN1CCOCC1
InChIInChI=1S/C12H17N3O2/c16-12(14-15-6-8-17-9-7-15)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,14,16)
InChIKeyKFIMBSHEXGXBRA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.73
Rot. Bonds3

About 1-benzyl-3-morpholin-4-ylurea

1-benzyl-3-morpholin-4-ylurea (PubChem CID 107653208) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-benzyl-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-benzyl-3-morpholin-4-ylurea
PubChem CID107653208
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-benzyl-3-morpholin-4-ylurea
SMILESO=C(NCc1ccccc1)NN1CCOCC1
InChIInChI=1S/C12H17N3O2/c16-12(14-15-6-8-17-9-7-15)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,14,16)
InChIKeyKFIMBSHEXGXBRA-UHFFFAOYSA-N
XLogP0.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207
benzyl N-morpholin-4-ylcarbamate
CID 54530052
1-(benzylcarbamoylamino)pyrrole-2-carboxylic acid
CID 118085107
1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
CID 134915010
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-morpholin-4-ylurea?
The IUPAC name of 1-benzyl-3-morpholin-4-ylurea (CID 107653208) is 1-benzyl-3-morpholin-4-ylurea.
What is the SMILES notation for 1-benzyl-3-morpholin-4-ylurea?
The canonical SMILES for 1-benzyl-3-morpholin-4-ylurea is O=C(NCc1ccccc1)NN1CCOCC1.
What is the InChIKey of 1-benzyl-3-morpholin-4-ylurea?
The InChIKey is KFIMBSHEXGXBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(14-15-6-8-17-9-7-15)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,14,16).
What are the key properties of 1-benzyl-3-morpholin-4-ylurea?
1-benzyl-3-morpholin-4-ylurea has a molecular weight of 235.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-morpholin-4-ylurea is sourced from PubChem (CID 107653208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).