1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea

C19H24N2O — CID 108989019

IUPAC1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H24N2O/c1-4-21(14-16-10-6-5-7-11-16)19(22)20-18-13-9-8-12-17(18)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,20,22)
InChIKeyFEOAJZMIOLYXRT-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.86
Rot. Bonds5

About 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea

1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea (PubChem CID 108989019) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
PubChem CID108989019
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H24N2O/c1-4-21(14-16-10-6-5-7-11-16)19(22)20-18-13-9-8-12-17(18)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,20,22)
InChIKeyFEOAJZMIOLYXRT-UHFFFAOYSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 61181082
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CID 8541330
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
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1-benzyl-1-ethyl-3-(furan-2-yl)urea
CID 108868477
1,1-dibenzyl-3-(2-sulfanylphenyl)urea
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1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
N-[benzyl(ethyl)carbamoyl]-2-chloropropanamide
CID 43328921
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
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N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea (CID 108989019) is 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea is CCN(Cc1ccccc1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea?
The InChIKey is FEOAJZMIOLYXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-21(14-16-10-6-5-7-11-16)19(22)20-18-13-9-8-12-17(18)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,20,22).
What are the key properties of 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea?
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea has a molecular weight of 296.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 108989019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).