N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide

C14H17NO2 — CID 167780706

IUPACN-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C23CC2C3)cc1
InChIInChI=1S/C14H17NO2/c1-17-12-4-2-10(3-5-12)6-7-15-13(16)14-8-11(14)9-14/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKeyGGUSGTHAYAADBR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167780706) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167780706
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C23CC2C3)cc1
InChIInChI=1S/C14H17NO2/c1-17-12-4-2-10(3-5-12)6-7-15-13(16)14-8-11(14)9-14/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKeyGGUSGTHAYAADBR-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587190
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 158233978
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide (CID 167780706) is N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide is COc1ccc(CCNC(=O)C23CC2C3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is GGUSGTHAYAADBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-12-4-2-10(3-5-12)6-7-15-13(16)14-8-11(14)9-14/h2-5,11H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167780706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).