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

C19H22N2O4 — CID 119292475

IUPAC2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N2O4/c1-2-4-16(20)19(22)21-14-6-3-5-13(9-14)11-23-15-7-8-17-18(10-15)25-12-24-17/h3,5-10,16H,2,4,11-12,20H2,1H3,(H,21,22)
InChIKeyPBWVKWCPYZCNFG-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.06
Rot. Bonds7

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

2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide (PubChem CID 119292475) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide
PubChem CID119292475
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N2O4/c1-2-4-16(20)19(22)21-14-6-3-5-13(9-14)11-23-15-7-8-17-18(10-15)25-12-24-17/h3,5-10,16H,2,4,11-12,20H2,1H3,(H,21,22)
InChIKeyPBWVKWCPYZCNFG-UHFFFAOYSA-N
XLogP3.06
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-4-methylsulfanylbutanamide
CID 119292469
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
CID 120986488
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119729232
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-pentylurea
CID 52641021
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(3-methylbutyl)urea
CID 52641109
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
N-[1-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55970882
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide (CID 119292475) is 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide?
The InChIKey is PBWVKWCPYZCNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-4-16(20)19(22)21-14-6-3-5-13(9-14)11-23-15-7-8-17-18(10-15)25-12-24-17/h3,5-10,16H,2,4,11-12,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide?
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide has a molecular weight of 342.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide is sourced from PubChem (CID 119292475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).