2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide

C16H22N2O4 — CID 168990288

IUPAC2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)C(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-4-5-12(17)16(20)18(3)10(2)15(19)11-6-7-13-14(8-11)22-9-21-13/h6-8,10,12H,4-5,9,17H2,1-3H3
InChIKeyGKUFTBWCDLMQSX-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.57
Rot. Bonds6

About 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide

2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide (PubChem CID 168990288) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide
PubChem CID168990288
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)C(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-4-5-12(17)16(20)18(3)10(2)15(19)11-6-7-13-14(8-11)22-9-21-13/h6-8,10,12H,4-5,9,17H2,1-3H3
InChIKeyGKUFTBWCDLMQSX-UHFFFAOYSA-N
XLogP1.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(2S)-1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-3-hydroxy-N-methylpropanamide
CID 177118532
N-[(2R)-1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpropanamide
CID 168989712
1-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]ethyl 2-amino-3-hydroxypropanoate
CID 168989814
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N,1-dimethylazetidine-3-carboxamide;propane
CID 168989795
N-[1-(1,3-benzodioxol-5-yl)-1-oxopentan-2-yl]-N-methylacetamide
CID 165362037
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-3-hydroxy-N-methylpropanamide
CID 168989710
[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylcarbamoyl]oxymethyl ethyl carbonate
CID 168989882
1-(1,3-benzodioxol-5-yl)-2-bromopentan-1-one
CID 71313695
1-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylcarbamoyl]oxyethyl 2,4-diamino-4-oxobutanoate
CID 168990088
(2S)-2-amino-N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 177118521
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N,1-dimethylazetidine-3-carboxamide
CID 168989796
1-(1,3-benzodioxol-5-yl)-2-[methyl(propyl)amino]pentan-1-one
CID 165361550

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide (CID 168990288) is 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide is CCCC(N)C(=O)N(C)C(C)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide?
The InChIKey is GKUFTBWCDLMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-5-12(17)16(20)18(3)10(2)15(19)11-6-7-13-14(8-11)22-9-21-13/h6-8,10,12H,4-5,9,17H2,1-3H3.
What are the key properties of 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide?
2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide has a molecular weight of 306.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide is sourced from PubChem (CID 168990288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).