N-(1-methoxypentan-2-yl)-2-propoxyacetamide

C11H23NO3 — CID 107941725

IUPACN-(1-methoxypentan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CCC)COC
InChIInChI=1S/C11H23NO3/c1-4-6-10(8-14-3)12-11(13)9-15-7-5-2/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyBTLYISZFHSXPNW-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds9

About N-(1-methoxypentan-2-yl)-2-propoxyacetamide

N-(1-methoxypentan-2-yl)-2-propoxyacetamide (PubChem CID 107941725) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-2-propoxyacetamide
PubChem CID107941725
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(1-methoxypentan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CCC)COC
InChIInChI=1S/C11H23NO3/c1-4-6-10(8-14-3)12-11(13)9-15-7-5-2/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyBTLYISZFHSXPNW-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-methoxypentan-2-yl)-2-propoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
2-(2-aminoethoxy)-N-hexan-3-ylacetamide
CID 79478574
2-(2-aminoethoxy)-N-(1-methoxybutan-2-yl)acetamide
CID 79478592
N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656234
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-2-propoxyacetamide (CID 107941725) is N-(1-methoxypentan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(CCC)COC.
What is the InChIKey of N-(1-methoxypentan-2-yl)-2-propoxyacetamide?
The InChIKey is BTLYISZFHSXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-10(8-14-3)12-11(13)9-15-7-5-2/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(1-methoxypentan-2-yl)-2-propoxyacetamide?
N-(1-methoxypentan-2-yl)-2-propoxyacetamide has a molecular weight of 217.31 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 107941725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).