2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride

C16H25ClN2O3 — CID 119309892

IUPAC2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-5-12(17)15(19)18-9-16(2,3)11-6-7-13-14(8-11)21-10-20-13;/h6-8,12H,4-5,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyDPTBQUBGYQNFQE-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.36
Rot. Bonds6

About 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride

2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride (PubChem CID 119309892) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
PubChem CID119309892
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-5-12(17)15(19)18-9-16(2,3)11-6-7-13-14(8-11)21-10-20-13;/h6-8,12H,4-5,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyDPTBQUBGYQNFQE-UHFFFAOYSA-N
XLogP2.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119760047
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119760041
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methoxypropanamide
CID 120987990
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152169
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(2S)-2-(benzimidazol-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]propanamide
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2-(1,3-benzodioxol-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261413
N-[(2S)-1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 52514259
N-[1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51128973
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride (CID 119309892) is 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride?
The InChIKey is DPTBQUBGYQNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-4-5-12(17)15(19)18-9-16(2,3)11-6-7-13-14(8-11)21-10-20-13;/h6-8,12H,4-5,9-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride?
2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride is sourced from PubChem (CID 119309892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).