3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide

C13H25NO3 — CID 86930166

IUPAC3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCC1CCCO1
InChIInChI=1S/C13H25NO3/c1-11(2)16-10-4-8-14-13(15)7-6-12-5-3-9-17-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyNAXAJKPFWALAPK-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds8

About 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide

3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 86930166) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID86930166
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCC1CCCO1
InChIInChI=1S/C13H25NO3/c1-11(2)16-10-4-8-14-13(15)7-6-12-5-3-9-17-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyNAXAJKPFWALAPK-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
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

N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
CID 7303816
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 86930166) is 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)CCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is NAXAJKPFWALAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)16-10-4-8-14-13(15)7-6-12-5-3-9-17-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide?
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 86930166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).