1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea

C18H28N2O2 — CID 86925087

IUPAC1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C18H28N2O2/c1-15(2)22-13-7-12-19-17(21)20-14-18(10-6-11-18)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,19,20,21)
InChIKeyXEUSCHKMRUXTBW-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.22
Rot. Bonds8

About 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea

1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea (PubChem CID 86925087) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea
PubChem CID86925087
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C18H28N2O2/c1-15(2)22-13-7-12-19-17(21)20-14-18(10-6-11-18)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,19,20,21)
InChIKeyXEUSCHKMRUXTBW-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(1-phenylcyclopentyl)methylcarbamoylamino]butanoate
CID 112806288
1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
1-[(2-bromophenyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 108897917
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
CID 71863002
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea (CID 86925087) is 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea is CC(C)OCCCNC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is XEUSCHKMRUXTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)22-13-7-12-19-17(21)20-14-18(10-6-11-18)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea?
1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 304.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 86925087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).