2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide

C19H23N3O4 — CID 38216970

IUPAC2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O4/c1-20-18(23)11-13-4-7-15(8-5-13)22-19(24)21-12-14-6-9-16(25-2)17(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyZPLIIVKMJOKAKT-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.31
Rot. Bonds7

About 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide

2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide (PubChem CID 38216970) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
PubChem CID38216970
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O4/c1-20-18(23)11-13-4-7-15(8-5-13)22-19(24)21-12-14-6-9-16(25-2)17(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyZPLIIVKMJOKAKT-UHFFFAOYSA-N
XLogP2.31
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-(3H-benzimidazol-5-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 25056225
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108923308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide (CID 38216970) is 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is ZPLIIVKMJOKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-20-18(23)11-13-4-7-15(8-5-13)22-19(24)21-12-14-6-9-16(25-2)17(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide?
2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 357.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 38216970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).