1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea

C15H24N2O — CID 108894089

IUPAC1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(C)c(C)c1)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-7-17(15(4,5)6)14(18)16-13-9-8-11(2)12(3)10-13/h8-10H,7H2,1-6H3,(H,16,18)
InChIKeyANVLNKSEVLUSPC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.96
Rot. Bonds2

About 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea

1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea (PubChem CID 108894089) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea.

Molecular Properties

Compound Name1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea
PubChem CID108894089
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(C)c(C)c1)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-7-17(15(4,5)6)14(18)16-13-9-8-11(2)12(3)10-13/h8-10H,7H2,1-6H3,(H,16,18)
InChIKeyANVLNKSEVLUSPC-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
CID 108895856
3-(4-bromophenyl)-1-tert-butyl-1-ethylurea
CID 108869301
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699
N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 144808255
1-tert-butyl-1-ethyl-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872665
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea?
The IUPAC name of 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea (CID 108894089) is 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea.
What is the SMILES notation for 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea?
The canonical SMILES for 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea is CCN(C(=O)Nc1ccc(C)c(C)c1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea?
The InChIKey is ANVLNKSEVLUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-7-17(15(4,5)6)14(18)16-13-9-8-11(2)12(3)10-13/h8-10H,7H2,1-6H3,(H,16,18).
What are the key properties of 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea?
1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea has a molecular weight of 248.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea is sourced from PubChem (CID 108894089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).