6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

C13H26N2O3 — CID 106101353

IUPAC6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H26N2O3/c1-2-11(5-7-14)3-4-12(16)15-9-13(17)6-8-18-10-13/h11,17H,2-10,14H2,1H3,(H,15,16)
InChIKeyRRPLJSLTHLFNRO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds8

About 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (PubChem CID 106101353) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
PubChem CID106101353
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H26N2O3/c1-2-11(5-7-14)3-4-12(16)15-9-13(17)6-8-18-10-13/h11,17H,2-10,14H2,1H3,(H,15,16)
InChIKeyRRPLJSLTHLFNRO-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
CID 113313291
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81162248
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (CID 106101353) is 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is CCC(CCN)CCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The InChIKey is RRPLJSLTHLFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-11(5-7-14)3-4-12(16)15-9-13(17)6-8-18-10-13/h11,17H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is sourced from PubChem (CID 106101353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).