1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea

C11H17N3O — CID 62659113

IUPAC1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
SMILESCNCCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H17N3O/c1-9-3-5-10(6-4-9)14-11(15)13-8-7-12-2/h3-6,12H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyGQNMAHCQUAQXOD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.34
Rot. Bonds4

About 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea

1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea (PubChem CID 62659113) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
PubChem CID62659113
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
SMILESCNCCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H17N3O/c1-9-3-5-10(6-4-9)14-11(15)13-8-7-12-2/h3-6,12H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyGQNMAHCQUAQXOD-UHFFFAOYSA-N
XLogP1.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[(E)-pent-3-enyl]urea
CID 115629212
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
N-methyl-8-[(4-methylphenyl)carbamoylamino]-2-oxooctanamide
CID 70068338
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
[(4-methylphenyl)carbamoylamino]methylphosphonic acid
CID 159634843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea (CID 62659113) is 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea is CNCCNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is GQNMAHCQUAQXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-3-5-10(6-4-9)14-11(15)13-8-7-12-2/h3-6,12H,7-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea?
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 62659113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).