2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide

C20H23ClN2O3 — CID 18144838

IUPAC2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)c1cccc(Cl)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23ClN2O3/c1-3-23(11-15-7-8-18-19(9-15)26-13-25-18)12-20(24)22-14(2)16-5-4-6-17(21)10-16/h4-10,14H,3,11-13H2,1-2H3,(H,22,24)
InChIKeyKAKCUBKFWYDKNV-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.77
Rot. Bonds7

About 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 18144838) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
PubChem CID18144838
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)c1cccc(Cl)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23ClN2O3/c1-3-23(11-15-7-8-18-19(9-15)26-13-25-18)12-20(24)22-14(2)16-5-4-6-17(21)10-16/h4-10,14H,3,11-13H2,1-2H3,(H,22,24)
InChIKeyKAKCUBKFWYDKNV-UHFFFAOYSA-N
XLogP3.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 8531474
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18144830
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(3-chlorophenyl)ethyl]thiourea
CID 8676137
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
CID 51260808
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 16609168
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
CID 46458841
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9389918
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide (CID 18144838) is 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide is CCN(CC(=O)NC(C)c1cccc(Cl)c1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is KAKCUBKFWYDKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-3-23(11-15-7-8-18-19(9-15)26-13-25-18)12-20(24)22-14(2)16-5-4-6-17(21)10-16/h4-10,14H,3,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 18144838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).