N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide

C22H22N2O3 — CID 8593211

IUPACN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(C)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H22N2O3/c1-15(17-8-10-20-21(12-17)27-14-26-20)23-22(25)13-24(2)19-9-7-16-5-3-4-6-18(16)11-19/h3-12,15H,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyACSDETJQMQYTMY-OAHLLOKOSA-N
MW362.43 g/mol
LogP3.88
Rot. Bonds5

About N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide (PubChem CID 8593211) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide
PubChem CID8593211
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(C)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H22N2O3/c1-15(17-8-10-20-21(12-17)27-14-26-20)23-22(25)13-24(2)19-9-7-16-5-3-4-6-18(16)11-19/h3-12,15H,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyACSDETJQMQYTMY-OAHLLOKOSA-N
XLogP3.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide 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

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761159
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51323962
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42988814
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588508
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 18143536
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60853625

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide?
The IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide (CID 8593211) is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide is C[C@@H](NC(=O)CN(C)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide?
The InChIKey is ACSDETJQMQYTMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(17-8-10-20-21(12-17)27-14-26-20)23-22(25)13-24(2)19-9-7-16-5-3-4-6-18(16)11-19/h3-12,15H,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide?
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide is sourced from PubChem (CID 8593211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).