N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

C22H25NO4 — CID 35346022

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2oc3c(C)c(C)ccc3c2C)cc1OC
InChIInChI=1S/C22H25NO4/c1-13-6-8-17-15(3)21(27-20(17)14(13)2)22(24)23-11-10-16-7-9-18(25-4)19(12-16)26-5/h6-9,12H,10-11H2,1-5H3,(H,23,24)
InChIKeyXTVJKDYDXDZACS-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 35346022) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID35346022
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2oc3c(C)c(C)ccc3c2C)cc1OC
InChIInChI=1S/C22H25NO4/c1-13-6-8-17-15(3)21(27-20(17)14(13)2)22(24)23-11-10-16-7-9-18(25-4)19(12-16)26-5/h6-9,12H,10-11H2,1-5H3,(H,23,24)
InChIKeyXTVJKDYDXDZACS-UHFFFAOYSA-N
XLogP4.35
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 6217000
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4-trimethylbenzamide
CID 4730559
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 744548
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
CID 84575585
N-[3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817744
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CID 35346022) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is COc1ccc(CCNC(=O)c2oc3c(C)c(C)ccc3c2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is XTVJKDYDXDZACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-13-6-8-17-15(3)21(27-20(17)14(13)2)22(24)23-11-10-16-7-9-18(25-4)19(12-16)26-5/h6-9,12H,10-11H2,1-5H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.35, 6 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)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35346022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).