N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide

C14H20N2O3 — CID 61212289

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-3-10(2)15-8-13(17)16-7-11-5-4-6-12-14(11)19-9-18-12/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyPIQFIAPSZVFYGM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds6

About N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide

N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide (PubChem CID 61212289) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide
PubChem CID61212289
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-3-10(2)15-8-13(17)16-7-11-5-4-6-12-14(11)19-9-18-12/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyPIQFIAPSZVFYGM-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
2-(1,3-benzodioxol-4-ylmethylamino)-N-propan-2-ylacetamide
CID 43583994
3-(1,3-benzodioxol-4-ylmethylamino)butanamide
CID 115676498
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
CID 103795712

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide (CID 61212289) is N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide is CCC(C)NCC(=O)NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide?
The InChIKey is PIQFIAPSZVFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10(2)15-8-13(17)16-7-11-5-4-6-12-14(11)19-9-18-12/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide?
N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide is sourced from PubChem (CID 61212289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).