3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide

C14H20N2O3 — CID 115153767

IUPAC3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
SMILESCc1cc2c(cc1CN(C)C(=O)C(C)CN)OCO2
InChIInChI=1S/C14H20N2O3/c1-9-4-12-13(19-8-18-12)5-11(9)7-16(3)14(17)10(2)6-15/h4-5,10H,6-8,15H2,1-3H3
InChIKeyYZHYDHIDFUPTOR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide

3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide (PubChem CID 115153767) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
PubChem CID115153767
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
SMILESCc1cc2c(cc1CN(C)C(=O)C(C)CN)OCO2
InChIInChI=1S/C14H20N2O3/c1-9-4-12-13(19-8-18-12)5-11(9)7-16(3)14(17)10(2)6-15/h4-5,10H,6-8,15H2,1-3H3
InChIKeyYZHYDHIDFUPTOR-UHFFFAOYSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]carbamic acid
CID 115171057
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167975
2-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)butanoic acid
CID 116926956
3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
CID 115180466
[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
CID 115229229
2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol
CID 115137051
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115187485

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide (CID 115153767) is 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide is Cc1cc2c(cc1CN(C)C(=O)C(C)CN)OCO2.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide?
The InChIKey is YZHYDHIDFUPTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-4-12-13(19-8-18-12)5-11(9)7-16(3)14(17)10(2)6-15/h4-5,10H,6-8,15H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide?
3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide is sourced from PubChem (CID 115153767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).