1-(2-benzylphenyl)-3-butan-2-ylurea

C18H22N2O — CID 75833712

IUPAC1-(2-benzylphenyl)-3-butan-2-ylurea
SMILESCCC(C)NC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-3-14(2)19-18(21)20-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeySRFFOCDPSXREQI-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.20
Rot. Bonds5

About 1-(2-benzylphenyl)-3-butan-2-ylurea

1-(2-benzylphenyl)-3-butan-2-ylurea (PubChem CID 75833712) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-butan-2-ylurea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-butan-2-ylurea
PubChem CID75833712
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-benzylphenyl)-3-butan-2-ylurea
SMILESCCC(C)NC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-3-14(2)19-18(21)20-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeySRFFOCDPSXREQI-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2-amino-N-(2-benzylphenyl)propanamide
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1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
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N,N'-bis(2-benzylphenyl)oxamide
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1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
3-(butan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833436
1-benzyl-3-butan-2-ylurea
CID 10512480
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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-butan-2-ylurea?
The IUPAC name of 1-(2-benzylphenyl)-3-butan-2-ylurea (CID 75833712) is 1-(2-benzylphenyl)-3-butan-2-ylurea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-butan-2-ylurea?
The canonical SMILES for 1-(2-benzylphenyl)-3-butan-2-ylurea is CCC(C)NC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-3-butan-2-ylurea?
The InChIKey is SRFFOCDPSXREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-14(2)19-18(21)20-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-benzylphenyl)-3-butan-2-ylurea?
1-(2-benzylphenyl)-3-butan-2-ylurea has a molecular weight of 282.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-butan-2-ylurea is sourced from PubChem (CID 75833712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).