N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide

C20H27NO4 — CID 110312529

IUPACN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccco2)C(C)C)cc1OC
InChIInChI=1S/C20H27NO4/c1-14(2)17(15-7-9-18(23-3)19(12-15)24-4)13-21-20(22)10-8-16-6-5-11-25-16/h5-7,9,11-12,14,17H,8,10,13H2,1-4H3,(H,21,22)
InChIKeyQGRJOGJQISNDER-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.79
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide (PubChem CID 110312529) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
PubChem CID110312529
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccco2)C(C)C)cc1OC
InChIInChI=1S/C20H27NO4/c1-14(2)17(15-7-9-18(23-3)19(12-15)24-4)13-21-20(22)10-8-16-6-5-11-25-16/h5-7,9,11-12,14,17H,8,10,13H2,1-4H3,(H,21,22)
InChIKeyQGRJOGJQISNDER-UHFFFAOYSA-N
XLogP3.79
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
CID 76952808
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 110314869
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524
3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124729672
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide (CID 110312529) is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide is COc1ccc(C(CNC(=O)CCc2ccco2)C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
The InChIKey is QGRJOGJQISNDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-14(2)17(15-7-9-18(23-3)19(12-15)24-4)13-21-20(22)10-8-16-6-5-11-25-16/h5-7,9,11-12,14,17H,8,10,13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).