ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate

C22H23NO4 — CID 18278042

IUPACethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H23NO4/c1-3-26-22(24)20-13-14-27-21(20)16-23(15-17-7-5-4-6-8-17)18-9-11-19(25-2)12-10-18/h4-14H,3,15-16H2,1-2H3
InChIKeyGRDKFSWXSMEXMV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.67
Rot. Bonds8

About ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate

ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate (PubChem CID 18278042) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate
PubChem CID18278042
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H23NO4/c1-3-26-22(24)20-13-14-27-21(20)16-23(15-17-7-5-4-6-8-17)18-9-11-19(25-2)12-10-18/h4-14H,3,15-16H2,1-2H3
InChIKeyGRDKFSWXSMEXMV-UHFFFAOYSA-N
XLogP4.67
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
CID 18083540
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid
CID 43244832
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663083
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate (CID 18278042) is ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate?
The InChIKey is GRDKFSWXSMEXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-3-26-22(24)20-13-14-27-21(20)16-23(15-17-7-5-4-6-8-17)18-9-11-19(25-2)12-10-18/h4-14H,3,15-16H2,1-2H3.
What are the key properties of ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate?
ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 18278042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).