N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide

C19H21ClN2O4 — CID 46631619

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCO2)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-13(22(2)9-10-24-16-6-4-3-5-15(16)20)19(23)21-14-7-8-17-18(11-14)26-12-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyALAFUTMLYKJZTQ-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.41
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide

N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide (PubChem CID 46631619) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
PubChem CID46631619
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCO2)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-13(22(2)9-10-24-16-6-4-3-5-15(16)20)19(23)21-14-7-8-17-18(11-14)26-12-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyALAFUTMLYKJZTQ-UHFFFAOYSA-N
XLogP3.41
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
CID 24507757
(2R)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516621
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517821
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 8517560
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,4-difluorophenyl)propanamide
CID 46631679
N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 51167371
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24507754
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 9357555
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049649
N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
CID 2082414
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]propanamide
CID 40938280
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 2608978

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide (CID 46631619) is N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide is CC(C(=O)Nc1ccc2c(c1)OCO2)N(C)CCOc1ccccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
The InChIKey is ALAFUTMLYKJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(22(2)9-10-24-16-6-4-3-5-15(16)20)19(23)21-14-7-8-17-18(11-14)26-12-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide has a molecular weight of 376.84 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide is sourced from PubChem (CID 46631619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).