1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea

C13H21N3O2 — CID 52887517

IUPAC1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
SMILESCCN(C)c1cccc(NC(=O)NCCOC)c1
InChIInChI=1S/C13H21N3O2/c1-4-16(2)12-7-5-6-11(10-12)15-13(17)14-8-9-18-3/h5-7,10H,4,8-9H2,1-3H3,(H2,14,15,17)
InChIKeyZOXUSKYEHUZOGJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds6

About 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea

1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea (PubChem CID 52887517) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
PubChem CID52887517
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
SMILESCCN(C)c1cccc(NC(=O)NCCOC)c1
InChIInChI=1S/C13H21N3O2/c1-4-16(2)12-7-5-6-11(10-12)15-13(17)14-8-9-18-3/h5-7,10H,4,8-9H2,1-3H3,(H2,14,15,17)
InChIKeyZOXUSKYEHUZOGJ-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926234
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea (CID 52887517) is 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea is CCN(C)c1cccc(NC(=O)NCCOC)c1.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea?
The InChIKey is ZOXUSKYEHUZOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(2)12-7-5-6-11(10-12)15-13(17)14-8-9-18-3/h5-7,10H,4,8-9H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea?
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 52887517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).