[amino-(N,2,4-trimethylanilino)methylidene]urea

C11H16N4O — CID 57266541

IUPAC[amino-(N,2,4-trimethylanilino)methylidene]urea
SMILESCc1ccc(N(C)C(N)=NC(N)=O)c(C)c1
InChIInChI=1S/C11H16N4O/c1-7-4-5-9(8(2)6-7)15(3)10(12)14-11(13)16/h4-6H,1-3H3,(H4,12,13,14,16)
InChIKeyWBBRORXZHFVNFH-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.13
Rot. Bonds1

About [amino-(N,2,4-trimethylanilino)methylidene]urea

[amino-(N,2,4-trimethylanilino)methylidene]urea (PubChem CID 57266541) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [amino-(N,2,4-trimethylanilino)methylidene]urea.

Molecular Properties

Compound Name[amino-(N,2,4-trimethylanilino)methylidene]urea
PubChem CID57266541
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[amino-(N,2,4-trimethylanilino)methylidene]urea
SMILESCc1ccc(N(C)C(N)=NC(N)=O)c(C)c1
InChIInChI=1S/C11H16N4O/c1-7-4-5-9(8(2)6-7)15(3)10(12)14-11(13)16/h4-6H,1-3H3,(H4,12,13,14,16)
InChIKeyWBBRORXZHFVNFH-UHFFFAOYSA-N
XLogP1.13
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide
CID 76932122
(1Z)-1-[amino-(2-fluoro-N,4-dimethylanilino)methylidene]-3-tert-butylurea
CID 20543370
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
CID 62003677
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
[amino-(2-fluoro-N,6-dimethylanilino)methylidene]urea
CID 57257094
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097338

Frequently Asked Questions

What is the IUPAC name of [amino-(N,2,4-trimethylanilino)methylidene]urea?
The IUPAC name of [amino-(N,2,4-trimethylanilino)methylidene]urea (CID 57266541) is [amino-(N,2,4-trimethylanilino)methylidene]urea.
What is the SMILES notation for [amino-(N,2,4-trimethylanilino)methylidene]urea?
The canonical SMILES for [amino-(N,2,4-trimethylanilino)methylidene]urea is Cc1ccc(N(C)C(N)=NC(N)=O)c(C)c1.
What is the InChIKey of [amino-(N,2,4-trimethylanilino)methylidene]urea?
The InChIKey is WBBRORXZHFVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-4-5-9(8(2)6-7)15(3)10(12)14-11(13)16/h4-6H,1-3H3,(H4,12,13,14,16).
What are the key properties of [amino-(N,2,4-trimethylanilino)methylidene]urea?
[amino-(N,2,4-trimethylanilino)methylidene]urea has a molecular weight of 220.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(N,2,4-trimethylanilino)methylidene]urea is sourced from PubChem (CID 57266541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).