N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide

C16H19NO3 — CID 40938970

IUPACN-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C16H19NO3/c1-11(2)15(12-6-8-13(19-3)9-7-12)17-16(18)14-5-4-10-20-14/h4-11,15H,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyVPGOUCDCGBOCEZ-HNNXBMFYSA-N
MW273.33 g/mol
LogP3.42
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide

N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide (PubChem CID 40938970) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
PubChem CID40938970
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C16H19NO3/c1-11(2)15(12-6-8-13(19-3)9-7-12)17-16(18)14-5-4-10-20-14/h4-11,15H,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyVPGOUCDCGBOCEZ-HNNXBMFYSA-N
XLogP3.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55371879
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
N-[1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 78810785
[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18228340
2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 78828363
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide (CID 40938970) is N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide is COc1ccc([C@@H](NC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
The InChIKey is VPGOUCDCGBOCEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)15(12-6-8-13(19-3)9-7-12)17-16(18)14-5-4-10-20-14/h4-11,15H,1-3H3,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 40938970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).