N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide

C23H21NO4 — CID 94011908

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC
InChIInChI=1S/C23H21NO4/c1-14(16-9-11-20(26-2)21(12-16)27-3)24-23(25)22-13-18-17-7-5-4-6-15(17)8-10-19(18)28-22/h4-14H,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyWVTWRUADPYZZSA-CQSZACIVSA-N
MW375.42 g/mol
LogP5.09
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 94011908) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
PubChem CID94011908
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC
InChIInChI=1S/C23H21NO4/c1-14(16-9-11-20(26-2)21(12-16)27-3)24-23(25)22-13-18-17-7-5-4-6-15(17)8-10-19(18)28-22/h4-14H,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyWVTWRUADPYZZSA-CQSZACIVSA-N
XLogP5.09
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
CID 100565674
N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 53281445
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28580089
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide (CID 94011908) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is WVTWRUADPYZZSA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14(16-9-11-20(26-2)21(12-16)27-3)24-23(25)22-13-18-17-7-5-4-6-15(17)8-10-19(18)28-22/h4-14H,1-3H3,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 94011908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).