N-[2-(3-oxobutoxy)ethyl]propanamide

C9H17NO3 — CID 170259518

IUPACN-[2-(3-oxobutoxy)ethyl]propanamide
SMILESCCC(=O)NCCOCCC(C)=O
InChIInChI=1S/C9H17NO3/c1-3-9(12)10-5-7-13-6-4-8(2)11/h3-7H2,1-2H3,(H,10,12)
InChIKeyGBUMKENESJBGKP-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.51
Rot. Bonds7

About N-[2-(3-oxobutoxy)ethyl]propanamide

N-[2-(3-oxobutoxy)ethyl]propanamide (PubChem CID 170259518) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[2-(3-oxobutoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-oxobutoxy)ethyl]propanamide
PubChem CID170259518
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[2-(3-oxobutoxy)ethyl]propanamide
SMILESCCC(=O)NCCOCCC(C)=O
InChIInChI=1S/C9H17NO3/c1-3-9(12)10-5-7-13-6-4-8(2)11/h3-7H2,1-2H3,(H,10,12)
InChIKeyGBUMKENESJBGKP-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
2-(3-oxobutoxy)ethylurea
CID 176664573
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxobutoxy)ethyl]propanamide?
The IUPAC name of N-[2-(3-oxobutoxy)ethyl]propanamide (CID 170259518) is N-[2-(3-oxobutoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(3-oxobutoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(3-oxobutoxy)ethyl]propanamide is CCC(=O)NCCOCCC(C)=O.
What is the InChIKey of N-[2-(3-oxobutoxy)ethyl]propanamide?
The InChIKey is GBUMKENESJBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-9(12)10-5-7-13-6-4-8(2)11/h3-7H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(3-oxobutoxy)ethyl]propanamide?
N-[2-(3-oxobutoxy)ethyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxobutoxy)ethyl]propanamide is sourced from PubChem (CID 170259518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).