3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea

C11H17N3O — CID 115192722

IUPAC3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
SMILESCCc1ccc(CN(C)C(=O)NN)cc1
InChIInChI=1S/C11H17N3O/c1-3-9-4-6-10(7-5-9)8-14(2)11(15)13-12/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeyGTCAAFHQOBBMSH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.26
Rot. Bonds3

About 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea

3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea (PubChem CID 115192722) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
PubChem CID115192722
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
SMILESCCc1ccc(CN(C)C(=O)NN)cc1
InChIInChI=1S/C11H17N3O/c1-3-9-4-6-10(7-5-9)8-14(2)11(15)13-12/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeyGTCAAFHQOBBMSH-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-benzyl-1-methylurea
CID 43163959
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193695
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
3-amino-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylurea
CID 115192735
3-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-1-methylurea
CID 115192752
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea?
The IUPAC name of 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea (CID 115192722) is 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea is CCc1ccc(CN(C)C(=O)NN)cc1.
What is the InChIKey of 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea?
The InChIKey is GTCAAFHQOBBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9-4-6-10(7-5-9)8-14(2)11(15)13-12/h4-7H,3,8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea?
3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea has a molecular weight of 207.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 115192722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).