6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide

C14H20N2O3 — CID 103542861

IUPAC6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1cc2c(cc1N)OCO2
InChIInChI=1S/C14H20N2O3/c1-8(2)9(3)16(4)14(17)10-5-12-13(6-11(10)15)19-7-18-12/h5-6,8-9H,7,15H2,1-4H3
InChIKeyXENNXBYDNMWWPB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds3

About 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide

6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103542861) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID103542861
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1cc2c(cc1N)OCO2
InChIInChI=1S/C14H20N2O3/c1-8(2)9(3)16(4)14(17)10-5-12-13(6-11(10)15)19-7-18-12/h5-6,8-9H,7,15H2,1-4H3
InChIKeyXENNXBYDNMWWPB-UHFFFAOYSA-N
XLogP2.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103543515
2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
6-amino-N-(2,2-difluoroethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 103543443
6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543392
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 103543338
1-(6-amino-1,3-benzodioxol-5-yl)-2-bromoethanone
CID 139571740
6-amino-N-(4-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543193
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543416
methyl 3-[(6-amino-1,3-benzodioxole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211617
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
6-amino-N-(2-amino-2-oxoethyl)-1,3-benzodioxole-5-carboxamide
CID 103542763

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide (CID 103542861) is 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide is CC(C)C(C)N(C)C(=O)c1cc2c(cc1N)OCO2.
What is the InChIKey of 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is XENNXBYDNMWWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(2)9(3)16(4)14(17)10-5-12-13(6-11(10)15)19-7-18-12/h5-6,8-9H,7,15H2,1-4H3.
What are the key properties of 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103542861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).