1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea

C23H24N4O3 — CID 55698533

IUPAC1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
SMILESCOc1cccc(CN(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C23H24N4O3/c1-27(16-17-8-6-13-21(14-17)30-2)23(29)26-20-12-7-11-19(15-20)25-22(28)24-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,29)(H2,24,25,28)
InChIKeyVPXZOZRJQBOZHH-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.00
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea

1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea (PubChem CID 55698533) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
PubChem CID55698533
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
SMILESCOc1cccc(CN(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C23H24N4O3/c1-27(16-17-8-6-13-21(14-17)30-2)23(29)26-20-12-7-11-19(15-20)25-22(28)24-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,29)(H2,24,25,28)
InChIKeyVPXZOZRJQBOZHH-UHFFFAOYSA-N
XLogP5.00
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821646
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea
CID 95347885
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea (CID 55698533) is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea is COc1cccc(CN(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea?
The InChIKey is VPXZOZRJQBOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27(16-17-8-6-13-21(14-17)30-2)23(29)26-20-12-7-11-19(15-20)25-22(28)24-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,29)(H2,24,25,28).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea?
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea has a molecular weight of 404.47 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 55698533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).