3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide

C22H26N2O5 — CID 167944863

IUPAC3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccc3c(c2)OCCO3)NC(C)=O)cc1
InChIInChI=1S/C22H26N2O5/c1-15(25)24-19(17-4-6-18(27-2)7-5-17)14-22(26)23-10-9-16-3-8-20-21(13-16)29-12-11-28-20/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyOQHKVIUWFZFOJH-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.39
Rot. Bonds8

About 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide

3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 167944863) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID167944863
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccc3c(c2)OCCO3)NC(C)=O)cc1
InChIInChI=1S/C22H26N2O5/c1-15(25)24-19(17-4-6-18(27-2)7-5-17)14-22(26)23-10-9-16-3-8-20-21(13-16)29-12-11-28-20/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyOQHKVIUWFZFOJH-UHFFFAOYSA-N
XLogP2.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 51195261
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 110627843
3-acetamido-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(4-methylphenyl)propanamide
CID 55747515
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
(3R)-3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 42494706
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 16596470
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 16592285
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 26710403

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 167944863) is 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NCCc2ccc3c(c2)OCCO3)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is OQHKVIUWFZFOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(25)24-19(17-4-6-18(27-2)7-5-17)14-22(26)23-10-9-16-3-8-20-21(13-16)29-12-11-28-20/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 398.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 167944863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).