N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide

C9H20N2O3 — CID 106180946

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CN)COC
InChIInChI=1S/C9H20N2O3/c1-3-4-14-7-9(12)11-8(5-10)6-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyWHPISQDIKCAZCO-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.50
Rot. Bonds8

About N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide

N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide (PubChem CID 106180946) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide
PubChem CID106180946
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CN)COC
InChIInChI=1S/C9H20N2O3/c1-3-4-14-7-9(12)11-8(5-10)6-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyWHPISQDIKCAZCO-UHFFFAOYSA-N
XLogP-0.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide (CID 106180946) is N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(CN)COC.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide?
The InChIKey is WHPISQDIKCAZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-3-4-14-7-9(12)11-8(5-10)6-13-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide?
N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide has a molecular weight of 204.27 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 106180946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).