1,1-dibenzyl-3-(cyclohexylmethyl)urea

C22H28N2O — CID 108902903

IUPAC1,1-dibenzyl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28N2O/c25-22(23-16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h2-3,6-9,12-15,19H,1,4-5,10-11,16-18H2,(H,23,25)
InChIKeyDVLBEGXGQGBYFU-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.98
Rot. Bonds6

About 1,1-dibenzyl-3-(cyclohexylmethyl)urea

1,1-dibenzyl-3-(cyclohexylmethyl)urea (PubChem CID 108902903) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(cyclohexylmethyl)urea
PubChem CID108902903
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1,1-dibenzyl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H28N2O/c25-22(23-16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h2-3,6-9,12-15,19H,1,4-5,10-11,16-18H2,(H,23,25)
InChIKeyDVLBEGXGQGBYFU-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Benzylurea
CID 10853
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(cyclohexylmethyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(cyclohexylmethyl)urea (CID 108902903) is 1,1-dibenzyl-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(cyclohexylmethyl)urea?
The InChIKey is DVLBEGXGQGBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-22(23-16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h2-3,6-9,12-15,19H,1,4-5,10-11,16-18H2,(H,23,25).
What are the key properties of 1,1-dibenzyl-3-(cyclohexylmethyl)urea?
1,1-dibenzyl-3-(cyclohexylmethyl)urea has a molecular weight of 336.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 108902903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).