2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C22H27NO5 — CID 71753734

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC
InChIInChI=1S/C22H27NO5/c1-22(2)9-8-15-10-14(6-7-17(15)28-22)11-20(24)23-16-12-18(25-3)21(27-5)19(13-16)26-4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,23,24)
InChIKeyPYZZKMIICIRASO-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 71753734) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID71753734
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC
InChIInChI=1S/C22H27NO5/c1-22(2)9-8-15-10-14(6-7-17(15)28-22)11-20(24)23-16-12-18(25-3)21(27-5)19(13-16)26-4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,23,24)
InChIKeyPYZZKMIICIRASO-UHFFFAOYSA-N
XLogP4.00
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4,5-trimethoxyphenyl)methyl 2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 68802601
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide
CID 71708966
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869209
2-[[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)acetyl]amino]-3-phenylpropanoic acid
CID 118985810
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 124862513
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
methyl 3-[3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]-3-(2,3,4-trimethoxyphenyl)propanoate
CID 91637720
2-amino-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propanoic acid
CID 117376321
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 71753734) is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PYZZKMIICIRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-22(2)9-8-15-10-14(6-7-17(15)28-22)11-20(24)23-16-12-18(25-3)21(27-5)19(13-16)26-4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,23,24).
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 71753734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).