1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea

C14H16N4O2 — CID 155694037

IUPAC1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(N)c(N)c2)c1
InChIInChI=1S/C14H16N4O2/c1-20-11-4-2-3-9(7-11)17-14(19)18-10-5-6-12(15)13(16)8-10/h2-8H,15-16H2,1H3,(H2,17,18,19)
InChIKeyGAADWFWWBLENOI-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.50
Rot. Bonds3

About 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea

1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea (PubChem CID 155694037) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
PubChem CID155694037
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(N)c(N)c2)c1
InChIInChI=1S/C14H16N4O2/c1-20-11-4-2-3-9(7-11)17-14(19)18-10-5-6-12(15)13(16)8-10/h2-8H,15-16H2,1H3,(H2,17,18,19)
InChIKeyGAADWFWWBLENOI-UHFFFAOYSA-N
XLogP2.50
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea (CID 155694037) is 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(N)c(N)c2)c1.
What is the InChIKey of 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is GAADWFWWBLENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-11-4-2-3-9(7-11)17-14(19)18-10-5-6-12(15)13(16)8-10/h2-8H,15-16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea?
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 272.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 155694037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).