1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea

C11H17N3O — CID 90799043

IUPAC1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea
SMILESCCN(C)NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H17N3O/c1-4-14(3)13-11(15)12-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H2,12,13,15)
InChIKeyXAZFTRXARASRMY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.98
Rot. Bonds3

About 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea

1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea (PubChem CID 90799043) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea
PubChem CID90799043
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea
SMILESCCN(C)NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H17N3O/c1-4-14(3)13-11(15)12-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H2,12,13,15)
InChIKeyXAZFTRXARASRMY-UHFFFAOYSA-N
XLogP1.98
TPSA44.37 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea (CID 90799043) is 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea is CCN(C)NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea?
The InChIKey is XAZFTRXARASRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-14(3)13-11(15)12-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea?
1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90799043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).