N-(1-aminopentan-2-yl)-3-propoxypropanamide

C11H24N2O2 — CID 65191210

IUPACN-(1-aminopentan-2-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CN)CCC
InChIInChI=1S/C11H24N2O2/c1-3-5-10(9-12)13-11(14)6-8-15-7-4-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyXGCVQGGMYGXLKS-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.05
Rot. Bonds9

About N-(1-aminopentan-2-yl)-3-propoxypropanamide

N-(1-aminopentan-2-yl)-3-propoxypropanamide (PubChem CID 65191210) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-3-propoxypropanamide
PubChem CID65191210
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(1-aminopentan-2-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CN)CCC
InChIInChI=1S/C11H24N2O2/c1-3-5-10(9-12)13-11(14)6-8-15-7-4-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyXGCVQGGMYGXLKS-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
N-(1-aminopentan-2-yl)-3-cyclopentylpropanamide
CID 65190822
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-3-propoxypropanamide?
The IUPAC name of N-(1-aminopentan-2-yl)-3-propoxypropanamide (CID 65191210) is N-(1-aminopentan-2-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-3-propoxypropanamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-3-propoxypropanamide is CCCOCCC(=O)NC(CN)CCC.
What is the InChIKey of N-(1-aminopentan-2-yl)-3-propoxypropanamide?
The InChIKey is XGCVQGGMYGXLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-10(9-12)13-11(14)6-8-15-7-4-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-(1-aminopentan-2-yl)-3-propoxypropanamide?
N-(1-aminopentan-2-yl)-3-propoxypropanamide has a molecular weight of 216.32 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-3-propoxypropanamide is sourced from PubChem (CID 65191210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).