N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide

C24H21NO3 — CID 22300394

IUPACN-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccco2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H21NO3/c1-2-27-19-14-12-18(13-15-19)23(25-24(26)22-11-6-16-28-22)21-10-5-8-17-7-3-4-9-20(17)21/h3-16,23H,2H2,1H3,(H,25,26)
InChIKeyCYLKXFDERNEHRN-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.35
Rot. Bonds6

About N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide

N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide (PubChem CID 22300394) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide
PubChem CID22300394
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC NameN-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccco2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H21NO3/c1-2-27-19-14-12-18(13-15-19)23(25-24(26)22-11-6-16-28-22)21-10-5-8-17-7-3-4-9-20(17)21/h3-16,23H,2H2,1H3,(H,25,26)
InChIKeyCYLKXFDERNEHRN-UHFFFAOYSA-N
XLogP5.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 3541433
methyl 3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 3770582
methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 40632655
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 7831628
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide (CID 22300394) is N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide is CCOc1ccc(C(NC(=O)c2ccco2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide?
The InChIKey is CYLKXFDERNEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-27-19-14-12-18(13-15-19)23(25-24(26)22-11-6-16-28-22)21-10-5-8-17-7-3-4-9-20(17)21/h3-16,23H,2H2,1H3,(H,25,26).
What are the key properties of N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide?
N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22300394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).