1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea

C13H20N2O — CID 129101422

IUPAC1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
SMILESCCc1cccc(C(C)(C)NC(=O)NC)c1
InChIInChI=1S/C13H20N2O/c1-5-10-7-6-8-11(9-10)13(2,3)15-12(16)14-4/h6-9H,5H2,1-4H3,(H2,14,15,16)
InChIKeyVEYJXFFARVPNJH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.41
Rot. Bonds3

About 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea

1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea (PubChem CID 129101422) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
PubChem CID129101422
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
SMILESCCc1cccc(C(C)(C)NC(=O)NC)c1
InChIInChI=1S/C13H20N2O/c1-5-10-7-6-8-11(9-10)13(2,3)15-12(16)14-4/h6-9H,5H2,1-4H3,(H2,14,15,16)
InChIKeyVEYJXFFARVPNJH-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
CID 90040437
3-ethyl-N-methylbenzamide
CID 59115297
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
CID 20658639
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one
CID 116710309
1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-[3-[2-[[4-[(2R)-butan-2-yl]phenyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27235829
1-methyl-3-tritylurea
CID 167052887

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea?
The IUPAC name of 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea (CID 129101422) is 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea.
What is the SMILES notation for 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea?
The canonical SMILES for 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea is CCc1cccc(C(C)(C)NC(=O)NC)c1.
What is the InChIKey of 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea?
The InChIKey is VEYJXFFARVPNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10-7-6-8-11(9-10)13(2,3)15-12(16)14-4/h6-9H,5H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea?
1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea has a molecular weight of 220.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea is sourced from PubChem (CID 129101422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).