N-butyl-2-(oxan-3-ylmethylamino)propanamide

C13H26N2O2 — CID 54906033

IUPACN-butyl-2-(oxan-3-ylmethylamino)propanamide
SMILESCCCCNC(=O)C(C)NCC1CCCOC1
InChIInChI=1S/C13H26N2O2/c1-3-4-7-14-13(16)11(2)15-9-12-6-5-8-17-10-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyGOWJWGZBYMMRFB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About N-butyl-2-(oxan-3-ylmethylamino)propanamide

N-butyl-2-(oxan-3-ylmethylamino)propanamide (PubChem CID 54906033) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-2-(oxan-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(oxan-3-ylmethylamino)propanamide
PubChem CID54906033
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-2-(oxan-3-ylmethylamino)propanamide
SMILESCCCCNC(=O)C(C)NCC1CCCOC1
InChIInChI=1S/C13H26N2O2/c1-3-4-7-14-13(16)11(2)15-9-12-6-5-8-17-10-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyGOWJWGZBYMMRFB-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-butyl-2-(oxan-3-ylamino)propanamide
CID 63363455
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(oxan-3-ylmethylamino)propanamide?
The IUPAC name of N-butyl-2-(oxan-3-ylmethylamino)propanamide (CID 54906033) is N-butyl-2-(oxan-3-ylmethylamino)propanamide.
What is the SMILES notation for N-butyl-2-(oxan-3-ylmethylamino)propanamide?
The canonical SMILES for N-butyl-2-(oxan-3-ylmethylamino)propanamide is CCCCNC(=O)C(C)NCC1CCCOC1.
What is the InChIKey of N-butyl-2-(oxan-3-ylmethylamino)propanamide?
The InChIKey is GOWJWGZBYMMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-7-14-13(16)11(2)15-9-12-6-5-8-17-10-12/h11-12,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-2-(oxan-3-ylmethylamino)propanamide?
N-butyl-2-(oxan-3-ylmethylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(oxan-3-ylmethylamino)propanamide is sourced from PubChem (CID 54906033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).