N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide

C13H25NO4 — CID 156820477

IUPACN-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
SMILESCC(=O)CCOCCOCCC(=O)NCC(C)C
InChIInChI=1S/C13H25NO4/c1-11(2)10-14-13(16)5-7-18-9-8-17-6-4-12(3)15/h11H,4-10H2,1-3H3,(H,14,16)
InChIKeyJYQRDCIYYPRZGV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.16
Rot. Bonds11

About N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide

N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide (PubChem CID 156820477) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
PubChem CID156820477
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
SMILESCC(=O)CCOCCOCCC(=O)NCC(C)C
InChIInChI=1S/C13H25NO4/c1-11(2)10-14-13(16)5-7-18-9-8-17-6-4-12(3)15/h11H,4-10H2,1-3H3,(H,14,16)
InChIKeyJYQRDCIYYPRZGV-UHFFFAOYSA-N
XLogP1.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
CID 170612923
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
CID 154642812
N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
CID 170124015

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide?
The IUPAC name of N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide (CID 156820477) is N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide is CC(=O)CCOCCOCCC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide?
The InChIKey is JYQRDCIYYPRZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-11(2)10-14-13(16)5-7-18-9-8-17-6-4-12(3)15/h11H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide?
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide has a molecular weight of 259.35 g/mol, XLogP of 1.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide is sourced from PubChem (CID 156820477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).