1-benzhydryl-3-(2-butan-2-ylphenyl)urea

C24H26N2O — CID 108867576

IUPAC1-benzhydryl-3-(2-butan-2-ylphenyl)urea
SMILESCCC(C)c1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O/c1-3-18(2)21-16-10-11-17-22(21)25-24(27)26-23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-18,23H,3H2,1-2H3,(H2,25,26,27)
InChIKeyCQTDNPKWAZXOTI-UHFFFAOYSA-N
MW358.49 g/mol
LogP6.11
Rot. Bonds6

About 1-benzhydryl-3-(2-butan-2-ylphenyl)urea

1-benzhydryl-3-(2-butan-2-ylphenyl)urea (PubChem CID 108867576) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-butan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-butan-2-ylphenyl)urea
PubChem CID108867576
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-benzhydryl-3-(2-butan-2-ylphenyl)urea
SMILESCCC(C)c1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O/c1-3-18(2)21-16-10-11-17-22(21)25-24(27)26-23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-18,23H,3H2,1-2H3,(H2,25,26,27)
InChIKeyCQTDNPKWAZXOTI-UHFFFAOYSA-N
XLogP6.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911176
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900398

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-butan-2-ylphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-butan-2-ylphenyl)urea (CID 108867576) is 1-benzhydryl-3-(2-butan-2-ylphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-butan-2-ylphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-butan-2-ylphenyl)urea is CCC(C)c1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-butan-2-ylphenyl)urea?
The InChIKey is CQTDNPKWAZXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-18(2)21-16-10-11-17-22(21)25-24(27)26-23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-18,23H,3H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-benzhydryl-3-(2-butan-2-ylphenyl)urea?
1-benzhydryl-3-(2-butan-2-ylphenyl)urea has a molecular weight of 358.49 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-butan-2-ylphenyl)urea is sourced from PubChem (CID 108867576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).