2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea

C14H21N3O2 — CID 83109435

IUPAC2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
SMILESCOc1ccc(C2CC(NCCNC(N)=O)C2)cc1
InChIInChI=1S/C14H21N3O2/c1-19-13-4-2-10(3-5-13)11-8-12(9-11)16-6-7-17-14(15)18/h2-5,11-12,16H,6-9H2,1H3,(H3,15,17,18)
InChIKeySGAAKDMIHJOGRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea (PubChem CID 83109435) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
PubChem CID83109435
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
SMILESCOc1ccc(C2CC(NCCNC(N)=O)C2)cc1
InChIInChI=1S/C14H21N3O2/c1-19-13-4-2-10(3-5-13)11-8-12(9-11)16-6-7-17-14(15)18/h2-5,11-12,16H,6-9H2,1H3,(H3,15,17,18)
InChIKeySGAAKDMIHJOGRW-UHFFFAOYSA-N
XLogP1.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633750
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea?
The IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea (CID 83109435) is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea is COc1ccc(C2CC(NCCNC(N)=O)C2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea?
The InChIKey is SGAAKDMIHJOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-4-2-10(3-5-13)11-8-12(9-11)16-6-7-17-14(15)18/h2-5,11-12,16H,6-9H2,1H3,(H3,15,17,18).
What are the key properties of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea?
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea has a molecular weight of 263.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea is sourced from PubChem (CID 83109435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).