N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide

C27H25NO2 — CID 42697707

IUPACN-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide
SMILESCOc1ccc(N(Cc2c3ccccc3cc3ccccc23)C(=O)C2CCC2)cc1
InChIInChI=1S/C27H25NO2/c1-30-23-15-13-22(14-16-23)28(27(29)19-9-6-10-19)18-26-24-11-4-2-7-20(24)17-21-8-3-5-12-25(21)26/h2-5,7-8,11-17,19H,6,9-10,18H2,1H3
InChIKeyIFGMTFIBBIXSOI-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.33
Rot. Bonds5

About N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide

N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide (PubChem CID 42697707) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide
PubChem CID42697707
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC NameN-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide
SMILESCOc1ccc(N(Cc2c3ccccc3cc3ccccc23)C(=O)C2CCC2)cc1
InChIInChI=1S/C27H25NO2/c1-30-23-15-13-22(14-16-23)28(27(29)19-9-6-10-19)18-26-24-11-4-2-7-20(24)17-21-8-3-5-12-25(21)26/h2-5,7-8,11-17,19H,6,9-10,18H2,1H3
InChIKeyIFGMTFIBBIXSOI-UHFFFAOYSA-N
XLogP6.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 835395
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CID 23648328
4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-yl)-ethoxy]phenyl}pyridin-2(1H)-one
CID 53317307
N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 826829
3-(4-(4-Methoxyphenyl)-1-piperazinyl)-1-(2-naphthyl)-1-propanone
CID 3490010
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-(naphthalen-2-ylformamido)propanamide
CID 23648332
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 9094886
(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 9328523
N-(4-methoxyphenyl)-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
CID 16330830
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methyl-9,10-dihydrophenanthrene-2-carboxamide
CID 44416798
N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide
CID 162643087
N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide
CID 162662565

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide (CID 42697707) is N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide is COc1ccc(N(Cc2c3ccccc3cc3ccccc23)C(=O)C2CCC2)cc1.
What is the InChIKey of N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide?
The InChIKey is IFGMTFIBBIXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-30-23-15-13-22(14-16-23)28(27(29)19-9-6-10-19)18-26-24-11-4-2-7-20(24)17-21-8-3-5-12-25(21)26/h2-5,7-8,11-17,19H,6,9-10,18H2,1H3.
What are the key properties of N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide?
N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide has a molecular weight of 395.50 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 42697707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).