[3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate

C19H22N2O4 — CID 146236579

IUPAC[3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate
SMILESCOc1ccc(-c2ccc(C(C)OC3CC(OC(N)=O)C3)nc2)cc1
InChIInChI=1S/C19H22N2O4/c1-12(24-16-9-17(10-16)25-19(20)22)18-8-5-14(11-21-18)13-3-6-15(23-2)7-4-13/h3-8,11-12,16-17H,9-10H2,1-2H3,(H2,20,22)
InChIKeyANGUVHIHUXFBEB-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.46
Rot. Bonds6

About [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate

[3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate (PubChem CID 146236579) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate.

Molecular Properties

Compound Name[3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate
PubChem CID146236579
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate
SMILESCOc1ccc(-c2ccc(C(C)OC3CC(OC(N)=O)C3)nc2)cc1
InChIInChI=1S/C19H22N2O4/c1-12(24-16-9-17(10-16)25-19(20)22)18-8-5-14(11-21-18)13-3-6-15(23-2)7-4-13/h3-8,11-12,16-17H,9-10H2,1-2H3,(H2,20,22)
InChIKeyANGUVHIHUXFBEB-UHFFFAOYSA-N
XLogP3.46
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-isothiocyanatocyclobutyl)oxyethyl]-5-(4-methoxyphenyl)pyridine
CID 146236583
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816
bis[4-[4-(4-methoxyphenyl)phenoxy]butyl] (1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 102001339
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
1-N-[[5-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]cyclobutane-1,3-diamine
CID 153363137
6-[4-(4-methoxyphenyl)phenoxy]hexyl 2-methylbutanoate
CID 22983350
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
methyl (2S)-2-[4-(4-methoxyphenyl)anilino]propanoate;hydrochloride
CID 67578447
3,8-bis[5-(4-methoxyphenyl)-2-pyridinyl]-4,7-phenanthroline
CID 71423013
N-ethyl-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 174990396

Frequently Asked Questions

What is the IUPAC name of [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate?
The IUPAC name of [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate (CID 146236579) is [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate.
What is the SMILES notation for [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate?
The canonical SMILES for [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate is COc1ccc(-c2ccc(C(C)OC3CC(OC(N)=O)C3)nc2)cc1.
What is the InChIKey of [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate?
The InChIKey is ANGUVHIHUXFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(24-16-9-17(10-16)25-19(20)22)18-8-5-14(11-21-18)13-3-6-15(23-2)7-4-13/h3-8,11-12,16-17H,9-10H2,1-2H3,(H2,20,22).
What are the key properties of [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate?
[3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[5-(4-methoxyphenyl)-2-pyridinyl]ethoxy]cyclobutyl] carbamate is sourced from PubChem (CID 146236579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).