3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea

C22H29N3O2 — CID 110670133

IUPAC3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCc1cccc(CN(CCN2CCOCC2)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H29N3O2/c1-19-6-5-9-21(16-19)18-25(11-10-24-12-14-27-15-13-24)22(26)23-17-20-7-3-2-4-8-20/h2-9,16H,10-15,17-18H2,1H3,(H,23,26)
InChIKeyKLCKRBCHENOAQG-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.04
Rot. Bonds7

About 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 110670133) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID110670133
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCc1cccc(CN(CCN2CCOCC2)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H29N3O2/c1-19-6-5-9-21(16-19)18-25(11-10-24-12-14-27-15-13-24)22(26)23-17-20-7-3-2-4-8-20/h2-9,16H,10-15,17-18H2,1H3,(H,23,26)
InChIKeyKLCKRBCHENOAQG-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 110670134
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 651336
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 59826221
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670194
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 42702545
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3194631

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 110670133) is 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is Cc1cccc(CN(CCN2CCOCC2)C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is KLCKRBCHENOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-19-6-5-9-21(16-19)18-25(11-10-24-12-14-27-15-13-24)22(26)23-17-20-7-3-2-4-8-20/h2-9,16H,10-15,17-18H2,1H3,(H,23,26).
What are the key properties of 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 367.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 110670133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).