N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide

C12H15NO3 — CID 163258801

IUPACN-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide
SMILESCC(=O)N(c1cccc2c1OCO2)C(C)C
InChIInChI=1S/C12H15NO3/c1-8(2)13(9(3)14)10-5-4-6-11-12(10)16-7-15-11/h4-6,8H,7H2,1-3H3
InChIKeyWRGRRUBOGGLIEO-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.18
Rot. Bonds2

About N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide

N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide (PubChem CID 163258801) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide
PubChem CID163258801
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide
SMILESCC(=O)N(c1cccc2c1OCO2)C(C)C
InChIInChI=1S/C12H15NO3/c1-8(2)13(9(3)14)10-5-4-6-11-12(10)16-7-15-11/h4-6,8H,7H2,1-3H3
InChIKeyWRGRRUBOGGLIEO-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine
CID 163258308
4-(1,3-benzodioxol-4-yl)but-3-en-2-one
CID 54504381
4-(1,3-benzodioxol-4-yl)-5-methylhexan-2-one
CID 83911896
2-(1,3-benzodioxol-4-ylsulfonylamino)propanoic acid
CID 122068088
N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide
CID 61212289
N-octan-2-yl-1,3-benzodioxole-4-carboxamide
CID 55859305
3-(1,3-benzodioxol-4-ylmethylamino)butanamide
CID 115676498
2-(1,3-benzodioxol-4-yloxy)butanoic acid
CID 151190632
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
1,3-benzodioxole-4-carboxylate
CID 6946476
(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
CID 6113665
(Z)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
CID 45053203

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide (CID 163258801) is N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide is CC(=O)N(c1cccc2c1OCO2)C(C)C.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide?
The InChIKey is WRGRRUBOGGLIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)13(9(3)14)10-5-4-6-11-12(10)16-7-15-11/h4-6,8H,7H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide?
N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 221.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 163258801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).