(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide

C18H19ClN2O3 — CID 124739220

IUPAC(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(18(22)17(20)13-3-2-4-14(19)10-13)11-12-5-6-15-16(9-12)24-8-7-23-15/h2-6,9-10,17H,7-8,11,20H2,1H3/t17-/m1/s1
InChIKeySEWGCOZXHISKGV-QGZVFWFLSA-N
MW346.81 g/mol
LogP2.77
Rot. Bonds4

About (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide

(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide (PubChem CID 124739220) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
PubChem CID124739220
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(18(22)17(20)13-3-2-4-14(19)10-13)11-12-5-6-15-16(9-12)24-8-7-23-15/h2-6,9-10,17H,7-8,11,20H2,1H3/t17-/m1/s1
InChIKeySEWGCOZXHISKGV-QGZVFWFLSA-N
XLogP2.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 9014242
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
3-[(3-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylurea
CID 17485093
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8752036
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46587179
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide?
The IUPAC name of (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide (CID 124739220) is (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide.
What is the SMILES notation for (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide?
The canonical SMILES for (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide?
The InChIKey is SEWGCOZXHISKGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(18(22)17(20)13-3-2-4-14(19)10-13)11-12-5-6-15-16(9-12)24-8-7-23-15/h2-6,9-10,17H,7-8,11,20H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide?
(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide has a molecular weight of 346.81 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 124739220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).