2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide

C13H26N2O3 — CID 106100394

IUPAC2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1(O)CCOC1
InChIInChI=1S/C13H26N2O3/c1-4-11(5-2)15-12(16)10(3)14-8-13(17)6-7-18-9-13/h10-11,14,17H,4-9H2,1-3H3,(H,15,16)
InChIKeyCHGTXAWVXABLSU-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.42
Rot. Bonds7

About 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide

2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide (PubChem CID 106100394) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide
PubChem CID106100394
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1(O)CCOC1
InChIInChI=1S/C13H26N2O3/c1-4-11(5-2)15-12(16)10(3)14-8-13(17)6-7-18-9-13/h10-11,14,17H,4-9H2,1-3H3,(H,15,16)
InChIKeyCHGTXAWVXABLSU-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 121536819
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103849304
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104704812
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100461
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106100664
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100937
2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101458
2-amino-3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylpropanamide
CID 106101722
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107301861
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114143496
(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide
CID 59063633
N-ethyl-2-[(4-hydroxyoxolan-3-yl)amino]acetamide
CID 60908576

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide (CID 106100394) is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCC1(O)CCOC1.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is CHGTXAWVXABLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-11(5-2)15-12(16)10(3)14-8-13(17)6-7-18-9-13/h10-11,14,17H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide?
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 106100394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).