N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide

C16H23NO3 — CID 42958517

IUPACN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-4-20-14-9-8-13(10-15(14)19-3)11(2)17-16(18)12-6-5-7-12/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyZAMUJOOPOZQBPV-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 42958517) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
PubChem CID42958517
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-4-20-14-9-8-13(10-15(14)19-3)11(2)17-16(18)12-6-5-7-12/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyZAMUJOOPOZQBPV-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521
1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 56808444
1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 51940554
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551671
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7324355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide (CID 42958517) is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide is CCOc1ccc(C(C)NC(=O)C2CCC2)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is ZAMUJOOPOZQBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-20-14-9-8-13(10-15(14)19-3)11(2)17-16(18)12-6-5-7-12/h8-12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide?
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 42958517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).