4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide

C14H20N2O5 — CID 119305084

IUPAC4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
SMILESNCCCC(=O)NCC(O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O5/c15-5-1-2-14(18)16-7-10(17)8-19-11-3-4-12-13(6-11)21-9-20-12/h3-4,6,10,17H,1-2,5,7-9,15H2,(H,16,18)
InChIKeyVZTJQHNUQGUGJF-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.01
Rot. Bonds8

About 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide

4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide (PubChem CID 119305084) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
PubChem CID119305084
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
SMILESNCCCC(=O)NCC(O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O5/c15-5-1-2-14(18)16-7-10(17)8-19-11-3-4-12-13(6-11)21-9-20-12/h3-4,6,10,17H,1-2,5,7-9,15H2,(H,16,18)
InChIKeyVZTJQHNUQGUGJF-UHFFFAOYSA-N
XLogP0.01
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)butanamide
CID 47929884
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119751804
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-cyanophenoxy)acetamide
CID 47930494
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 47930490
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
CID 94796566
N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
CID 119751829
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119305067
1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-3-(3-fluorophenyl)urea
CID 51102218
4-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122025005

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide?
The IUPAC name of 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide (CID 119305084) is 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide is NCCCC(=O)NCC(O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide?
The InChIKey is VZTJQHNUQGUGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c15-5-1-2-14(18)16-7-10(17)8-19-11-3-4-12-13(6-11)21-9-20-12/h3-4,6,10,17H,1-2,5,7-9,15H2,(H,16,18).
What are the key properties of 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide?
4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide has a molecular weight of 296.32 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide is sourced from PubChem (CID 119305084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).