3-benzhydryl-1,1-dibutylurea

C22H30N2O — CID 108867480

IUPAC3-benzhydryl-1,1-dibutylurea
SMILESCCCCN(CCCC)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-3-5-17-24(18-6-4-2)22(25)23-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,3-6,17-18H2,1-2H3,(H,23,25)
InChIKeyOIWDQXYQTCGIBX-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.39
Rot. Bonds9

About 3-benzhydryl-1,1-dibutylurea

3-benzhydryl-1,1-dibutylurea (PubChem CID 108867480) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-benzhydryl-1,1-dibutylurea.

Molecular Properties

Compound Name3-benzhydryl-1,1-dibutylurea
PubChem CID108867480
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-benzhydryl-1,1-dibutylurea
SMILESCCCCN(CCCC)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-3-5-17-24(18-6-4-2)22(25)23-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,3-6,17-18H2,1-2H3,(H,23,25)
InChIKeyOIWDQXYQTCGIBX-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880
3-benzhydryl-1,1-dimethylurea
CID 2228466
3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
CID 42700226
1-benzhydryl-3-octadecylurea
CID 142646590
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
CID 3027044
3-amino-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706
3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42700235
1-butyl-1-ethyl-3-[1-(2-methylphenyl)ethyl]urea
CID 86998783
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1,1-dibutylurea?
The IUPAC name of 3-benzhydryl-1,1-dibutylurea (CID 108867480) is 3-benzhydryl-1,1-dibutylurea.
What is the SMILES notation for 3-benzhydryl-1,1-dibutylurea?
The canonical SMILES for 3-benzhydryl-1,1-dibutylurea is CCCCN(CCCC)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-1,1-dibutylurea?
The InChIKey is OIWDQXYQTCGIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-3-5-17-24(18-6-4-2)22(25)23-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,3-6,17-18H2,1-2H3,(H,23,25).
What are the key properties of 3-benzhydryl-1,1-dibutylurea?
3-benzhydryl-1,1-dibutylurea has a molecular weight of 338.50 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1,1-dibutylurea is sourced from PubChem (CID 108867480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).