3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea

C22H28N2O2 — CID 122563898

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C22H28N2O2/c1-24(21(26)23-16-22(17-25)13-5-6-14-22)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-4,7-12,25H,5-6,13-17H2,1H3,(H,23,26)
InChIKeyWFFORZCWURDGHX-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.05
Rot. Bonds6

About 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea

3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea (PubChem CID 122563898) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
PubChem CID122563898
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C22H28N2O2/c1-24(21(26)23-16-22(17-25)13-5-6-14-22)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-4,7-12,25H,5-6,13-17H2,1H3,(H,23,26)
InChIKeyWFFORZCWURDGHX-UHFFFAOYSA-N
XLogP4.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
CID 110013379
1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
CID 30303125
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1-amino-N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119287101
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
3-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362491
N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
CID 134054105
3-benzyl-1-[[4-(diethylamino)phenyl]methyl]-1-methylurea
CID 24664576

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea (CID 122563898) is 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea?
The InChIKey is WFFORZCWURDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24(21(26)23-16-22(17-25)13-5-6-14-22)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-4,7-12,25H,5-6,13-17H2,1H3,(H,23,26).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea?
3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea has a molecular weight of 352.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea is sourced from PubChem (CID 122563898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).