2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide

C18H20N2O5 — CID 120986488

IUPAC2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N2O5/c1-22-10-15(19)18(21)20-13-4-2-3-12(7-13)9-23-14-5-6-16-17(8-14)25-11-24-16/h2-8,15H,9-11,19H2,1H3,(H,20,21)
InChIKeySHBSIHVFURKNDP-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.91
Rot. Bonds7

About 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide

2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide (PubChem CID 120986488) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
PubChem CID120986488
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N2O5/c1-22-10-15(19)18(21)20-13-4-2-3-12(7-13)9-23-14-5-6-16-17(8-14)25-11-24-16/h2-8,15H,9-11,19H2,1H3,(H,20,21)
InChIKeySHBSIHVFURKNDP-UHFFFAOYSA-N
XLogP1.91
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide
CID 119292475
(2S)-2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-4-methylsulfanylbutanamide
CID 119292469
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119729232
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(3-methylbutyl)urea
CID 52641109
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119729227
N-[1-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55970882
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-pentylurea
CID 52641021
N-[3-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55804995
methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55805067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide (CID 120986488) is 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide?
The InChIKey is SHBSIHVFURKNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-10-15(19)18(21)20-13-4-2-3-12(7-13)9-23-14-5-6-16-17(8-14)25-11-24-16/h2-8,15H,9-11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide?
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide has a molecular weight of 344.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 120986488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).