2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide

C19H22N2O3 — CID 120666625

IUPAC2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O3/c1-13-2-5-15(6-3-13)18(20)19(22)21-9-8-14-4-7-16-17(12-14)24-11-10-23-16/h2-7,12,18H,8-11,20H2,1H3,(H,21,22)
InChIKeyCFDBPUQNURDWNO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide

2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 120666625) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID120666625
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O3/c1-13-2-5-15(6-3-13)18(20)19(22)21-9-8-14-4-7-16-17(12-14)24-11-10-23-16/h2-7,12,18H,8-11,20H2,1H3,(H,21,22)
InChIKeyCFDBPUQNURDWNO-UHFFFAOYSA-N
XLogP2.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897255
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668542
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylbenzamide
CID 17397216
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 99132994
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 99132993
2-(carbamoylamino)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylbutanamide
CID 42908832
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8960798
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 16596155
3-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide;hydrochloride
CID 119266691

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 120666625) is 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCCc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is CFDBPUQNURDWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-2-5-15(6-3-13)18(20)19(22)21-9-8-14-4-7-16-17(12-14)24-11-10-23-16/h2-7,12,18H,8-11,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120666625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).