N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide

C16H19NO4 — CID 121127019

IUPACN-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)Cc2ccoc2)c(OC)c1
InChIInChI=1S/C16H19NO4/c1-11(8-12-6-7-21-10-12)17-16(18)14-5-4-13(19-2)9-15(14)20-3/h4-7,9-11H,8H2,1-3H3,(H,17,18)
InChIKeyOOKHQMVEBBGBQM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.66
Rot. Bonds6

About N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide

N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide (PubChem CID 121127019) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
PubChem CID121127019
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)Cc2ccoc2)c(OC)c1
InChIInChI=1S/C16H19NO4/c1-11(8-12-6-7-21-10-12)17-16(18)14-5-4-13(19-2)9-15(14)20-3/h4-7,9-11H,8H2,1-3H3,(H,17,18)
InChIKeyOOKHQMVEBBGBQM-UHFFFAOYSA-N
XLogP2.66
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
CID 99874043
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-[1-(furan-3-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 121126955
1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 56789155

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide (CID 121127019) is N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC(C)Cc2ccoc2)c(OC)c1.
What is the InChIKey of N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is OOKHQMVEBBGBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(8-12-6-7-21-10-12)17-16(18)14-5-4-13(19-2)9-15(14)20-3/h4-7,9-11H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide?
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 289.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 121127019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).