1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea

C17H19N3O4 — CID 170860315

IUPAC1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)CN)cc2)c1
InChIInChI=1S/C17H19N3O4/c1-23-13-7-8-16(24-2)14(9-13)20-17(22)19-12-5-3-11(4-6-12)15(21)10-18/h3-9H,10,18H2,1-2H3,(H2,19,20,22)
InChIKeyICMIIDCYKPOBHO-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.49
Rot. Bonds6

About 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea

1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 170860315) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID170860315
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)CN)cc2)c1
InChIInChI=1S/C17H19N3O4/c1-23-13-7-8-16(24-2)14(9-13)20-17(22)19-12-5-3-11(4-6-12)15(21)10-18/h3-9H,10,18H2,1-2H3,(H2,19,20,22)
InChIKeyICMIIDCYKPOBHO-UHFFFAOYSA-N
XLogP2.49
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea
CID 170896049
dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
CID 1298005
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
CID 35521100
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea (CID 170860315) is 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)CN)cc2)c1.
What is the InChIKey of 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is ICMIIDCYKPOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-13-7-8-16(24-2)14(9-13)20-17(22)19-12-5-3-11(4-6-12)15(21)10-18/h3-9H,10,18H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea?
1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 329.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 170860315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).