N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide

C13H21NO4 — CID 70119995

IUPACN-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide
SMILESCCC(=O)CCCCC(=O)N[C@@]1(C)CCOC1=O
InChIInChI=1S/C13H21NO4/c1-3-10(15)6-4-5-7-11(16)14-13(2)8-9-18-12(13)17/h3-9H2,1-2H3,(H,14,16)/t13-/m0/s1
InChIKeyVNPBTLRZRDQYOB-ZDUSSCGKSA-N
MW255.31 g/mol
LogP1.35
Rot. Bonds7

About N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide

N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide (PubChem CID 70119995) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide
PubChem CID70119995
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide
SMILESCCC(=O)CCCCC(=O)N[C@@]1(C)CCOC1=O
InChIInChI=1S/C13H21NO4/c1-3-10(15)6-4-5-7-11(16)14-13(2)8-9-18-12(13)17/h3-9H2,1-2H3,(H,14,16)/t13-/m0/s1
InChIKeyVNPBTLRZRDQYOB-ZDUSSCGKSA-N
XLogP1.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide?
The IUPAC name of N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide (CID 70119995) is N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide.
What is the SMILES notation for N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide?
The canonical SMILES for N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide is CCC(=O)CCCCC(=O)N[C@@]1(C)CCOC1=O.
What is the InChIKey of N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide?
The InChIKey is VNPBTLRZRDQYOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-10(15)6-4-5-7-11(16)14-13(2)8-9-18-12(13)17/h3-9H2,1-2H3,(H,14,16)/t13-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide?
N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide has a molecular weight of 255.31 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-2-oxooxolan-3-yl]-6-oxooctanamide is sourced from PubChem (CID 70119995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).