N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide

C17H21NO3 — CID 95200609

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide
SMILESCC[C@H](c1ccc(OC)cc1)N(C)C(=O)c1ccoc1C
InChIInChI=1S/C17H21NO3/c1-5-16(13-6-8-14(20-4)9-7-13)18(3)17(19)15-10-11-21-12(15)2/h6-11,16H,5H2,1-4H3/t16-/m1/s1
InChIKeyRAVMSKCAGSOIBU-MRXNPFEDSA-N
MW287.36 g/mol
LogP3.82
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 95200609) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID95200609
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide
SMILESCC[C@H](c1ccc(OC)cc1)N(C)C(=O)c1ccoc1C
InChIInChI=1S/C17H21NO3/c1-5-16(13-6-8-14(20-4)9-7-13)18(3)17(19)15-10-11-21-12(15)2/h6-11,16H,5H2,1-4H3/t16-/m1/s1
InChIKeyRAVMSKCAGSOIBU-MRXNPFEDSA-N
XLogP3.82
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
CID 7108155
N-(2-bromoethyl)-2-methyl-N-pentan-3-ylfuran-3-carboxamide
CID 80670864
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-N-prop-2-enylfuran-3-carboxamide
CID 6462227
2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid
CID 166253361
N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
CID 94548212
(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104789248
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832013
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide (CID 95200609) is N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide is CC[C@H](c1ccc(OC)cc1)N(C)C(=O)c1ccoc1C.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is RAVMSKCAGSOIBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO3/c1-5-16(13-6-8-14(20-4)9-7-13)18(3)17(19)15-10-11-21-12(15)2/h6-11,16H,5H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)propyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 95200609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).