4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide

C14H20N2O3 — CID 115156732

IUPAC4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
SMILESCc1cc2c(cc1CNC(=O)CCC(C)N)OCO2
InChIInChI=1S/C14H20N2O3/c1-9-5-12-13(19-8-18-12)6-11(9)7-16-14(17)4-3-10(2)15/h5-6,10H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyWGMVJKVUFHWICH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds5

About 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide

4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide (PubChem CID 115156732) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
PubChem CID115156732
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
SMILESCc1cc2c(cc1CNC(=O)CCC(C)N)OCO2
InChIInChI=1S/C14H20N2O3/c1-9-5-12-13(19-8-18-12)6-11(9)7-16-14(17)4-3-10(2)15/h5-6,10H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyWGMVJKVUFHWICH-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propane-1,2-diamine
CID 115196599
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide
CID 115158478
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
2-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)butanoic acid
CID 116926956
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
1-N-methyl-1-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]butane-1,3-diamine
CID 115199430
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115180111
3-amino-2-hydroxy-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 115180554
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
2-methyl-N'-[(6-methyl-1,3-benzodioxol-5-yl)methyl]butane-1,4-diamine
CID 115203252
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide (CID 115156732) is 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide is Cc1cc2c(cc1CNC(=O)CCC(C)N)OCO2.
What is the InChIKey of 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide?
The InChIKey is WGMVJKVUFHWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-12-13(19-8-18-12)6-11(9)7-16-14(17)4-3-10(2)15/h5-6,10H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide?
4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide has a molecular weight of 264.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide is sourced from PubChem (CID 115156732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).