2-(oxan-4-ylmethylamino)propanamide

C9H18N2O2 — CID 62386036

IUPAC2-(oxan-4-ylmethylamino)propanamide
SMILESCC(NCC1CCOCC1)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-7(9(10)12)11-6-8-2-4-13-5-3-8/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyRXSCXQPCGJWNHH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds4

About 2-(oxan-4-ylmethylamino)propanamide

2-(oxan-4-ylmethylamino)propanamide (PubChem CID 62386036) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(oxan-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethylamino)propanamide
PubChem CID62386036
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(oxan-4-ylmethylamino)propanamide
SMILESCC(NCC1CCOCC1)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-7(9(10)12)11-6-8-2-4-13-5-3-8/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyRXSCXQPCGJWNHH-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 79812234
2-[(4-methyloxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103742229
2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103768071
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 105809084
N-[1-(oxan-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113258746
2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113260647
2-(oxan-4-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115599261
3-methyl-N-[[4-(3-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790353
N-(2-aminoethyl)oxane-4-carboxamide
CID 15035312
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
2-(Oxolan-3-ylmethylamino)propanamide
CID 43545359

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethylamino)propanamide?
The IUPAC name of 2-(oxan-4-ylmethylamino)propanamide (CID 62386036) is 2-(oxan-4-ylmethylamino)propanamide.
What is the SMILES notation for 2-(oxan-4-ylmethylamino)propanamide?
The canonical SMILES for 2-(oxan-4-ylmethylamino)propanamide is CC(NCC1CCOCC1)C(N)=O.
What is the InChIKey of 2-(oxan-4-ylmethylamino)propanamide?
The InChIKey is RXSCXQPCGJWNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(10)12)11-6-8-2-4-13-5-3-8/h7-8,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-(oxan-4-ylmethylamino)propanamide?
2-(oxan-4-ylmethylamino)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethylamino)propanamide is sourced from PubChem (CID 62386036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).