2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

C22H29NO5 — CID 51958779

IUPAC2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
SMILESCOc1cc(CC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC
InChIInChI=1S/C22H29NO5/c1-13-7-15-16(11-22(2,3)12-19(15)28-13)23-20(24)10-14-8-17(25-4)21(27-6)18(9-14)26-5/h7-9,16H,10-12H2,1-6H3,(H,23,24)/t16-/m0/s1
InChIKeyZXGHNZGOTLLXPE-INIZCTEOSA-N
MW387.48 g/mol
LogP3.99
Rot. Bonds6

About 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide (PubChem CID 51958779) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
PubChem CID51958779
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
SMILESCOc1cc(CC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC
InChIInChI=1S/C22H29NO5/c1-13-7-15-16(11-22(2,3)12-19(15)28-13)23-20(24)10-14-8-17(25-4)21(27-6)18(9-14)26-5/h7-9,16H,10-12H2,1-6H3,(H,23,24)/t16-/m0/s1
InChIKeyZXGHNZGOTLLXPE-INIZCTEOSA-N
XLogP3.99
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea
CID 47048314
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 82013757
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55782492
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 95163208
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55965160
4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782682

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide (CID 51958779) is 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide is COc1cc(CC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
The InChIKey is ZXGHNZGOTLLXPE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29NO5/c1-13-7-15-16(11-22(2,3)12-19(15)28-13)23-20(24)10-14-8-17(25-4)21(27-6)18(9-14)26-5/h7-9,16H,10-12H2,1-6H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide is sourced from PubChem (CID 51958779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).