3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

C17H25ClN2O2 — CID 91662165

IUPAC3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCCC(CNC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-3-13(14-4-6-15(18)7-5-14)10-19-17(22)20(2)11-12-8-16(21)9-12/h4-7,12-13,16,21H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyMNCGVMQODBGKRX-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.25
Rot. Bonds6

About 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (PubChem CID 91662165) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
PubChem CID91662165
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCCC(CNC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-3-13(14-4-6-15(18)7-5-14)10-19-17(22)20(2)11-12-8-16(21)9-12/h4-7,12-13,16,21H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyMNCGVMQODBGKRX-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1,2-diphenylethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 99857981
3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398774
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
CID 115603907
(1R,2S,4R)-N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378289
(1R,2R,4R)-N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378287
N-[2-(4-chlorophenyl)butyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 167808066
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104671170
N-[(3-bromocyclobutyl)methyl]-5-chloro-N-methylpyridine-2-carboxamide
CID 80677048
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (CID 91662165) is 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is CCC(CNC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The InChIKey is MNCGVMQODBGKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-13(14-4-6-15(18)7-5-14)10-19-17(22)20(2)11-12-8-16(21)9-12/h4-7,12-13,16,21H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea has a molecular weight of 324.85 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is sourced from PubChem (CID 91662165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).