N,N-bis(3-oxopentyl)propanamide

C13H23NO3 — CID 59903181

IUPACN,N-bis(3-oxopentyl)propanamide
SMILESCCC(=O)CCN(CCC(=O)CC)C(=O)CC
InChIInChI=1S/C13H23NO3/c1-4-11(15)7-9-14(13(17)6-3)10-8-12(16)5-2/h4-10H2,1-3H3
InChIKeyOWJFWYQDHCQHDY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.96
Rot. Bonds9

About N,N-bis(3-oxopentyl)propanamide

N,N-bis(3-oxopentyl)propanamide (PubChem CID 59903181) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-bis(3-oxopentyl)propanamide.

Molecular Properties

Compound NameN,N-bis(3-oxopentyl)propanamide
PubChem CID59903181
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN,N-bis(3-oxopentyl)propanamide
SMILESCCC(=O)CCN(CCC(=O)CC)C(=O)CC
InChIInChI=1S/C13H23NO3/c1-4-11(15)7-9-14(13(17)6-3)10-8-12(16)5-2/h4-10H2,1-3H3
InChIKeyOWJFWYQDHCQHDY-UHFFFAOYSA-N
XLogP1.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-oxopentyl)propanamide?
The IUPAC name of N,N-bis(3-oxopentyl)propanamide (CID 59903181) is N,N-bis(3-oxopentyl)propanamide.
What is the SMILES notation for N,N-bis(3-oxopentyl)propanamide?
The canonical SMILES for N,N-bis(3-oxopentyl)propanamide is CCC(=O)CCN(CCC(=O)CC)C(=O)CC.
What is the InChIKey of N,N-bis(3-oxopentyl)propanamide?
The InChIKey is OWJFWYQDHCQHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-11(15)7-9-14(13(17)6-3)10-8-12(16)5-2/h4-10H2,1-3H3.
What are the key properties of N,N-bis(3-oxopentyl)propanamide?
N,N-bis(3-oxopentyl)propanamide has a molecular weight of 241.33 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-oxopentyl)propanamide is sourced from PubChem (CID 59903181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).