(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide

C20H24N2O4 — CID 9357067

IUPAC(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O4/c1-14(20(23)21-16-6-4-5-7-17(16)24-3)22(2)13-15-8-9-18-19(12-15)26-11-10-25-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyYUZLXMYRZQRDGN-CQSZACIVSA-N
MW356.42 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide

(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 9357067) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
PubChem CID9357067
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O4/c1-14(20(23)21-16-6-4-5-7-17(16)24-3)22(2)13-15-8-9-18-19(12-15)26-11-10-25-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyYUZLXMYRZQRDGN-CQSZACIVSA-N
XLogP2.93
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8746938
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 26374826
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 9357083
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide
CID 40797726
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide (CID 9357067) is (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is YUZLXMYRZQRDGN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(20(23)21-16-6-4-5-7-17(16)24-3)22(2)13-15-8-9-18-19(12-15)26-11-10-25-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 356.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 9357067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).