N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide

C15H17NO3 — CID 121145461

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
SMILESCOC(CNC(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C15H17NO3/c1-11-5-7-12(8-6-11)15(17)16-10-14(18-2)13-4-3-9-19-13/h3-9,14H,10H2,1-2H3,(H,16,17)
InChIKeyMKCDXLIKEVRAHY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide

N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide (PubChem CID 121145461) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
PubChem CID121145461
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
SMILESCOC(CNC(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C15H17NO3/c1-11-5-7-12(8-6-11)15(17)16-10-14(18-2)13-4-3-9-19-13/h3-9,14H,10H2,1-2H3,(H,16,17)
InChIKeyMKCDXLIKEVRAHY-UHFFFAOYSA-N
XLogP2.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide
CID 121145495
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide
CID 99876364
N-[2-(furan-2-yl)-2-methoxyethyl]-2-(4-phenylphenyl)acetamide
CID 121145554
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283
2-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145492
N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[2-(furan-2-yl)-2-methoxyethyl]-1H-indole-2-carboxamide
CID 121145486

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide (CID 121145461) is N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide is COC(CNC(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide?
The InChIKey is MKCDXLIKEVRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-5-7-12(8-6-11)15(17)16-10-14(18-2)13-4-3-9-19-13/h3-9,14H,10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide?
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide is sourced from PubChem (CID 121145461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).