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

C16H24N2O5 — CID 119751829

IUPAC2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC(O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H24N2O5/c1-3-6-16(2,17)15(20)18-8-11(19)9-21-12-4-5-13-14(7-12)23-10-22-13/h4-5,7,11,19H,3,6,8-10,17H2,1-2H3,(H,18,20)
InChIKeyUHUVNUGYXKSUBT-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.79
Rot. Bonds8

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

2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide (PubChem CID 119751829) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
PubChem CID119751829
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC(O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C16H24N2O5/c1-3-6-16(2,17)15(20)18-8-11(19)9-21-12-4-5-13-14(7-12)23-10-22-13/h4-5,7,11,19H,3,6,8-10,17H2,1-2H3,(H,18,20)
InChIKeyUHUVNUGYXKSUBT-UHFFFAOYSA-N
XLogP0.79
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
CID 119305084
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751814
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
CID 94796566
(2R)-N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-phenylmethoxypropanamide
CID 52528634
N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)butanamide
CID 47929884
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119305067
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119751804

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide (CID 119751829) is 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC(O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide?
The InChIKey is UHUVNUGYXKSUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-3-6-16(2,17)15(20)18-8-11(19)9-21-12-4-5-13-14(7-12)23-10-22-13/h4-5,7,11,19H,3,6,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide?
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide has a molecular weight of 324.38 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide is sourced from PubChem (CID 119751829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).