N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide

C13H17NO3 — CID 7772829

IUPACN-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
SMILESCOc1cc(NC(=O)C2CCC2)cc(OC)c1
InChIInChI=1S/C13H17NO3/c1-16-11-6-10(7-12(8-11)17-2)14-13(15)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyBWXYQAXXAICJHJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.44
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide

N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide (PubChem CID 7772829) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
PubChem CID7772829
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
SMILESCOc1cc(NC(=O)C2CCC2)cc(OC)c1
InChIInChI=1S/C13H17NO3/c1-16-11-6-10(7-12(8-11)17-2)14-13(15)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyBWXYQAXXAICJHJ-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270376
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551077

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide (CID 7772829) is N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide is COc1cc(NC(=O)C2CCC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide?
The InChIKey is BWXYQAXXAICJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-6-10(7-12(8-11)17-2)14-13(15)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide?
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 7772829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).