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

C18H29N3O2 — CID 110670134

IUPAC1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
SMILESCCCNC(=O)N(CCN1CCOCC1)Cc1cccc(C)c1
InChIInChI=1S/C18H29N3O2/c1-3-7-19-18(22)21(9-8-20-10-12-23-13-11-20)15-17-6-4-5-16(2)14-17/h4-6,14H,3,7-13,15H2,1-2H3,(H,19,22)
InChIKeyRJBLZYYADONTRA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.25
Rot. Bonds7

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

1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea (PubChem CID 110670134) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
PubChem CID110670134
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
SMILESCCCNC(=O)N(CCN1CCOCC1)Cc1cccc(C)c1
InChIInChI=1S/C18H29N3O2/c1-3-7-19-18(22)21(9-8-20-10-12-23-13-11-20)15-17-6-4-5-16(2)14-17/h4-6,14H,3,7-13,15H2,1-2H3,(H,19,22)
InChIKeyRJBLZYYADONTRA-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 42819707
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670194
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
CID 24714634
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42852963

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
The IUPAC name of 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea (CID 110670134) is 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea is CCCNC(=O)N(CCN1CCOCC1)Cc1cccc(C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
The InChIKey is RJBLZYYADONTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-7-19-18(22)21(9-8-20-10-12-23-13-11-20)15-17-6-4-5-16(2)14-17/h4-6,14H,3,7-13,15H2,1-2H3,(H,19,22).
What are the key properties of 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea has a molecular weight of 319.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea is sourced from PubChem (CID 110670134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).