N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide

C14H20N2O3 — CID 110833221

IUPACN-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(C)(N)CNC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,15)8-16-13(17)6-4-10-3-5-11-12(7-10)19-9-18-11/h3,5,7H,4,6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyRXUYFCQFZCGLQN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.20
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide

N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 110833221) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
PubChem CID110833221
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(C)(N)CNC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,15)8-16-13(17)6-4-10-3-5-11-12(7-10)19-9-18-11/h3,5,7H,4,6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyRXUYFCQFZCGLQN-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
1-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136120
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522758
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
CID 107300178
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100699977

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide (CID 110833221) is N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide is CC(C)(N)CNC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is RXUYFCQFZCGLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,15)8-16-13(17)6-4-10-3-5-11-12(7-10)19-9-18-11/h3,5,7H,4,6,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide?
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 110833221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).