[3-(methylamino)phenyl]urea

C8H11N3O — CID 23558981

IUPAC[3-(methylamino)phenyl]urea
SMILESCNc1cccc(NC(N)=O)c1
InChIInChI=1S/C8H11N3O/c1-10-6-3-2-4-7(5-6)11-8(9)12/h2-5,10H,1H3,(H3,9,11,12)
InChIKeyHDYMQYZBPPYPCH-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.22
Rot. Bonds2

About [3-(methylamino)phenyl]urea

[3-(methylamino)phenyl]urea (PubChem CID 23558981) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is [3-(methylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(methylamino)phenyl]urea
PubChem CID23558981
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name[3-(methylamino)phenyl]urea
SMILESCNc1cccc(NC(N)=O)c1
InChIInChI=1S/C8H11N3O/c1-10-6-3-2-4-7(5-6)11-8(9)12/h2-5,10H,1H3,(H3,9,11,12)
InChIKeyHDYMQYZBPPYPCH-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)phenyl]carbamic acid
CID 66771222
[3-(chloroamino)phenyl]urea
CID 155328094
3-(methylamino)benzamide
CID 18727714
ethane;3-(methylamino)benzamide
CID 142071023
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484
methyl 3-(carbamoylamino)benzoate
CID 2822841
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]urea?
The IUPAC name of [3-(methylamino)phenyl]urea (CID 23558981) is [3-(methylamino)phenyl]urea.
What is the SMILES notation for [3-(methylamino)phenyl]urea?
The canonical SMILES for [3-(methylamino)phenyl]urea is CNc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-(methylamino)phenyl]urea?
The InChIKey is HDYMQYZBPPYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-10-6-3-2-4-7(5-6)11-8(9)12/h2-5,10H,1H3,(H3,9,11,12).
What are the key properties of [3-(methylamino)phenyl]urea?
[3-(methylamino)phenyl]urea has a molecular weight of 165.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]urea is sourced from PubChem (CID 23558981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).