N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide

C21H21NO4 — CID 27865745

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(C)o2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21NO4/c1-15-8-10-19(26-15)21(23)22-13-17-9-11-18(20(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyMLAMKCDXLFQXJC-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.11
Rot. Bonds7

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide (PubChem CID 27865745) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
PubChem CID27865745
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(C)o2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21NO4/c1-15-8-10-19(26-15)21(23)22-13-17-9-11-18(20(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyMLAMKCDXLFQXJC-UHFFFAOYSA-N
XLogP4.11
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810379
2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
CID 154805734
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633664
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide (CID 27865745) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide is COc1cc(CNC(=O)c2ccc(C)o2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The InChIKey is MLAMKCDXLFQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15-8-10-19(26-15)21(23)22-13-17-9-11-18(20(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 27865745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).