(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C21H26N2O4 — CID 40813142

IUPAC(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1
InChIInChI=1S/C21H26N2O4/c1-15(21(24)22-12-16-8-10-17(25-3)11-9-16)23(2)13-18-14-26-19-6-4-5-7-20(19)27-18/h4-11,15,18H,12-14H2,1-3H3,(H,22,24)/t15-,18-/m1/s1
InChIKeyDRBINRWHZUGSHD-CRAIPNDOSA-N
MW370.45 g/mol
LogP2.47
Rot. Bonds7

About (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 40813142) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID40813142
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1
InChIInChI=1S/C21H26N2O4/c1-15(21(24)22-12-16-8-10-17(25-3)11-9-16)23(2)13-18-14-26-19-6-4-5-7-20(19)27-18/h4-11,15,18H,12-14H2,1-3H3,(H,22,24)/t15-,18-/m1/s1
InChIKeyDRBINRWHZUGSHD-CRAIPNDOSA-N
XLogP2.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]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

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8749780
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 17450869
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methoxybenzamide
CID 78711266
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
N-[bis(4-methoxyphenyl)methyl]-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetamide
CID 55387510
(3R)-N-[(1S)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1150935
(3S)-N-benzyl-N-[(1R)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1150932
(3S)-N-[(1S)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 98097307
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methoxyphenyl)-1-methylthiourea
CID 2460183
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 17478899
(2S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125073598
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817257

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 40813142) is (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1.
What is the InChIKey of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is DRBINRWHZUGSHD-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(21(24)22-12-16-8-10-17(25-3)11-9-16)23(2)13-18-14-26-19-6-4-5-7-20(19)27-18/h4-11,15,18H,12-14H2,1-3H3,(H,22,24)/t15-,18-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 40813142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).