N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide

C20H24N2O2 — CID 24750194

IUPACN-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
SMILESCOc1cccc(N(CCNC(=O)C2CCC2)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-24-19-12-6-11-18(15-19)22(17-9-3-2-4-10-17)14-13-21-20(23)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,21,23)
InChIKeyBPIGQMAEJFYIDN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide

N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide (PubChem CID 24750194) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
PubChem CID24750194
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
SMILESCOc1cccc(N(CCNC(=O)C2CCC2)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-24-19-12-6-11-18(15-19)22(17-9-3-2-4-10-17)14-13-21-20(23)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,21,23)
InChIKeyBPIGQMAEJFYIDN-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]butanamide
CID 24750071
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide (CID 24750194) is N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide is COc1cccc(N(CCNC(=O)C2CCC2)c2ccccc2)c1.
What is the InChIKey of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide?
The InChIKey is BPIGQMAEJFYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-12-6-11-18(15-19)22(17-9-3-2-4-10-17)14-13-21-20(23)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide?
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 24750194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).