N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide

C21H19NO — CID 32618502

IUPACN-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1(c2ccccc2)CCC1
InChIInChI=1S/C21H19NO/c23-20(21(14-7-15-21)17-10-2-1-3-11-17)22-19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,14-15H2,(H,22,23)
InChIKeyUBVQKQYSNMKEOS-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.90
Rot. Bonds3

About N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide

N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide (PubChem CID 32618502) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
PubChem CID32618502
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1(c2ccccc2)CCC1
InChIInChI=1S/C21H19NO/c23-20(21(14-7-15-21)17-10-2-1-3-11-17)22-19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,14-15H2,(H,22,23)
InChIKeyUBVQKQYSNMKEOS-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
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N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
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2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide (CID 32618502) is N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide is O=C(Nc1cccc2ccccc12)C1(c2ccccc2)CCC1.
What is the InChIKey of N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is UBVQKQYSNMKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-20(21(14-7-15-21)17-10-2-1-3-11-17)22-19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,14-15H2,(H,22,23).
What are the key properties of N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide?
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 32618502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).