1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea

C20H24N2O2 — CID 111437945

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
SMILESCc1ccc(C(NC(=O)NCC2(O)CCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-8-10-17(11-9-15)18(16-6-3-2-4-7-16)22-19(23)21-14-20(24)12-5-13-20/h2-4,6-11,18,24H,5,12-14H2,1H3,(H2,21,22,23)
InChIKeyIZPAUGRHJAINFP-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.30
Rot. Bonds5

About 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea (PubChem CID 111437945) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
PubChem CID111437945
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
SMILESCc1ccc(C(NC(=O)NCC2(O)CCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-8-10-17(11-9-15)18(16-6-3-2-4-7-16)22-19(23)21-14-20(24)12-5-13-20/h2-4,6-11,18,24H,5,12-14H2,1H3,(H2,21,22,23)
InChIKeyIZPAUGRHJAINFP-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
CID 126434205
1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 122569767
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
N-benzhydryl-2-(1-hydroxycyclopentyl)acetamide
CID 111430201
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
1-benzhydryl-3-prop-2-ynylurea
CID 41304336

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea (CID 111437945) is 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea is Cc1ccc(C(NC(=O)NCC2(O)CCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea?
The InChIKey is IZPAUGRHJAINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-10-17(11-9-15)18(16-6-3-2-4-7-16)22-19(23)21-14-20(24)12-5-13-20/h2-4,6-11,18,24H,5,12-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea has a molecular weight of 324.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea is sourced from PubChem (CID 111437945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).