3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide

C16H23NO3 — CID 110789828

IUPAC3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
SMILESCc1cc2c(cc1CCNC(=O)CC(C)C)OCCO2
InChIInChI=1S/C16H23NO3/c1-11(2)8-16(18)17-5-4-13-10-15-14(9-12(13)3)19-6-7-20-15/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyHVTPTQABUUDKSD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds5

About 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide

3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide (PubChem CID 110789828) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
PubChem CID110789828
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
SMILESCc1cc2c(cc1CCNC(=O)CC(C)C)OCCO2
InChIInChI=1S/C16H23NO3/c1-11(2)8-16(18)17-5-4-13-10-15-14(9-12(13)3)19-6-7-20-15/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyHVTPTQABUUDKSD-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
1-cyano-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172520
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 110789849
N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234
2-(3-methoxyphenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789865
3-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoic acid
CID 112519656
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115180111
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795814
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795817
2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115152763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide (CID 110789828) is 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide is Cc1cc2c(cc1CCNC(=O)CC(C)C)OCCO2.
What is the InChIKey of 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide?
The InChIKey is HVTPTQABUUDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)8-16(18)17-5-4-13-10-15-14(9-12(13)3)19-6-7-20-15/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide?
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide has a molecular weight of 277.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide is sourced from PubChem (CID 110789828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).