1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea

C20H24N2O3 — CID 111438140

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)NCC1(O)CCC1
InChIInChI=1S/C20H24N2O3/c23-19(22-15-20(24)11-4-12-20)21-13-16-7-9-18(10-8-16)25-14-17-5-2-1-3-6-17/h1-3,5-10,24H,4,11-15H2,(H2,21,22,23)
InChIKeyDJTHEMDTRITWNI-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.98
Rot. Bonds7

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

1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea (PubChem CID 111438140) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
PubChem CID111438140
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)NCC1(O)CCC1
InChIInChI=1S/C20H24N2O3/c23-19(22-15-20(24)11-4-12-20)21-13-16-7-9-18(10-8-16)25-14-17-5-2-1-3-6-17/h1-3,5-10,24H,4,11-15H2,(H2,21,22,23)
InChIKeyDJTHEMDTRITWNI-UHFFFAOYSA-N
XLogP2.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539373
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
CID 168880124
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 113242302
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
CID 111114582
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111539402

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea (CID 111438140) is 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea is O=C(NCc1ccc(OCc2ccccc2)cc1)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea?
The InChIKey is DJTHEMDTRITWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(22-15-20(24)11-4-12-20)21-13-16-7-9-18(10-8-16)25-14-17-5-2-1-3-6-17/h1-3,5-10,24H,4,11-15H2,(H2,21,22,23).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea has a molecular weight of 340.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 111438140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).