ethane;1-[(2-ethylphenyl)methyl]-3-methylurea

C13H22N2O — CID 142017164

IUPACethane;1-[(2-ethylphenyl)methyl]-3-methylurea
SMILESCC.CCc1ccccc1CNC(=O)NC
InChIInChI=1S/C11H16N2O.C2H6/c1-3-9-6-4-5-7-10(9)8-13-11(14)12-2;1-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14);1-2H3
InChIKeyNHCVEBRDFIRGIX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.70
Rot. Bonds3

About ethane;1-[(2-ethylphenyl)methyl]-3-methylurea

ethane;1-[(2-ethylphenyl)methyl]-3-methylurea (PubChem CID 142017164) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;1-[(2-ethylphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Nameethane;1-[(2-ethylphenyl)methyl]-3-methylurea
PubChem CID142017164
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;1-[(2-ethylphenyl)methyl]-3-methylurea
SMILESCC.CCc1ccccc1CNC(=O)NC
InChIInChI=1S/C11H16N2O.C2H6/c1-3-9-6-4-5-7-10(9)8-13-11(14)12-2;1-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14);1-2H3
InChIKeyNHCVEBRDFIRGIX-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142489172
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CID 90763782
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
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1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
1-methyl-3-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]urea
CID 164643922
(2S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 64694950
2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 79800784
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-ethylphenyl)methyl]-3-methylurea?
The IUPAC name of ethane;1-[(2-ethylphenyl)methyl]-3-methylurea (CID 142017164) is ethane;1-[(2-ethylphenyl)methyl]-3-methylurea.
What is the SMILES notation for ethane;1-[(2-ethylphenyl)methyl]-3-methylurea?
The canonical SMILES for ethane;1-[(2-ethylphenyl)methyl]-3-methylurea is CC.CCc1ccccc1CNC(=O)NC.
What is the InChIKey of ethane;1-[(2-ethylphenyl)methyl]-3-methylurea?
The InChIKey is NHCVEBRDFIRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-3-9-6-4-5-7-10(9)8-13-11(14)12-2;1-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14);1-2H3.
What are the key properties of ethane;1-[(2-ethylphenyl)methyl]-3-methylurea?
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea has a molecular weight of 222.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-ethylphenyl)methyl]-3-methylurea is sourced from PubChem (CID 142017164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).