4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide

C13H26N2O3 — CID 106286460

IUPAC4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1(C)COCC1N
InChIInChI=1S/C13H26N2O3/c1-4-9(5-2)10(16)6-15-12(17)13(3)8-18-7-11(13)14/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyZMGDRUCWOXNMLN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.26
Rot. Bonds6

About 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide

4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide (PubChem CID 106286460) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide
PubChem CID106286460
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1(C)COCC1N
InChIInChI=1S/C13H26N2O3/c1-4-9(5-2)10(16)6-15-12(17)13(3)8-18-7-11(13)14/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyZMGDRUCWOXNMLN-UHFFFAOYSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(ethylamino)-2-oxoethyl]-3-methyloxolane-3-carboxamide
CID 66250212
4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 113405137
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66264175
4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
CID 66264615
2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
CID 79457673
4-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439840
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161976
4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide
CID 113490476
4-amino-N-(1-cyclohexylpropyl)-3-methyloxolane-3-carboxamide
CID 66263325
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66263890

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide (CID 106286460) is 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide is CCC(CC)C(O)CNC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide?
The InChIKey is ZMGDRUCWOXNMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-9(5-2)10(16)6-15-12(17)13(3)8-18-7-11(13)14/h9-11,16H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 106286460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).