2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C20H23NO4 — CID 110680468

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CCOc3ccccc32)cc1OC
InChIInChI=1S/C20H23NO4/c1-23-18-8-7-14(11-19(18)24-2)13-21-20(22)12-15-9-10-25-17-6-4-3-5-16(15)17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyNVFLNHKQKYQRGB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.28
Rot. Bonds6

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 110680468) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID110680468
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CCOc3ccccc32)cc1OC
InChIInChI=1S/C20H23NO4/c1-23-18-8-7-14(11-19(18)24-2)13-21-20(22)12-15-9-10-25-17-6-4-3-5-16(15)17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyNVFLNHKQKYQRGB-UHFFFAOYSA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
2-(2,3-dihydro-1-benzofuran-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110753758
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38156799
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
2-(3,4-dihydro-2H-chromen-4-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 126786026
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 110680468) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CC2CCOc3ccccc32)cc1OC.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is NVFLNHKQKYQRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-18-8-7-14(11-19(18)24-2)13-21-20(22)12-15-9-10-25-17-6-4-3-5-16(15)17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110680468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).