6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide

C22H23NO2 — CID 110169894

IUPAC6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C22H23NO2/c1-25-21-13-12-18-15-20(11-10-19(18)16-21)22(24)23-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15-16H,5-6,9,14H2,1H3,(H,23,24)
InChIKeyKEMNIVSEVAGCFZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.60
Rot. Bonds7

About 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide

6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide (PubChem CID 110169894) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
PubChem CID110169894
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C22H23NO2/c1-25-21-13-12-18-15-20(11-10-19(18)16-21)22(24)23-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15-16H,5-6,9,14H2,1H3,(H,23,24)
InChIKeyKEMNIVSEVAGCFZ-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-[2-ethyl-5-(4-methoxyphenyl)triazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 154641315
trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium
CID 139793428
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
CID 110169903

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide?
The IUPAC name of 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide (CID 110169894) is 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide is COc1ccc2cc(C(=O)NCCCCc3ccccc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide?
The InChIKey is KEMNIVSEVAGCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-25-21-13-12-18-15-20(11-10-19(18)16-21)22(24)23-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15-16H,5-6,9,14H2,1H3,(H,23,24).
What are the key properties of 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide?
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 110169894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).