N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide

C14H24N2O5 — CID 53237928

IUPACN-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide
SMILESCCCCOCCCNC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H24N2O5/c1-2-3-7-20-8-4-6-15-12(17)10-13(18)16-11-5-9-21-14(11)19/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyABJWTJLWVOXLNV-NSHDSACASA-N
MW300.36 g/mol
LogP0.13
Rot. Bonds10

About N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide

N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide (PubChem CID 53237928) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide
PubChem CID53237928
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC NameN-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide
SMILESCCCCOCCCNC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H24N2O5/c1-2-3-7-20-8-4-6-15-12(17)10-13(18)16-11-5-9-21-14(11)19/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyABJWTJLWVOXLNV-NSHDSACASA-N
XLogP0.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide?
The IUPAC name of N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide (CID 53237928) is N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide.
What is the SMILES notation for N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide?
The canonical SMILES for N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide is CCCCOCCCNC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide?
The InChIKey is ABJWTJLWVOXLNV-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-3-7-20-8-4-6-15-12(17)10-13(18)16-11-5-9-21-14(11)19/h11H,2-10H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide?
N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide has a molecular weight of 300.36 g/mol, XLogP of 0.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N'-[(3S)-2-oxooxolan-3-yl]propanediamide is sourced from PubChem (CID 53237928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).