4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide

C14H28N2O2 — CID 79490741

IUPAC4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1COCC1N
InChIInChI=1S/C14H28N2O2/c1-5-11(6-2)16(7-10(3)4)14(17)12-8-18-9-13(12)15/h10-13H,5-9,15H2,1-4H3
InChIKeyLGWCCLZQFKZNEI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds6

About 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide

4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide (PubChem CID 79490741) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide
PubChem CID79490741
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1COCC1N
InChIInChI=1S/C14H28N2O2/c1-5-11(6-2)16(7-10(3)4)14(17)12-8-18-9-13(12)15/h10-13H,5-9,15H2,1-4H3
InChIKeyLGWCCLZQFKZNEI-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N-pentan-3-yloxolane-3-carboxamide
CID 66236680
4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 66239455
4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
CID 66238860
2-[2-methylpropyl(pentan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 79490717
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66235466
cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 97159337
4-amino-N-(1-cyanopropan-2-yl)-N-methyloxolane-3-carboxamide
CID 66237705
2-methylpropyl 4-aminooxolane-3-carboxylate
CID 66239922
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide (CID 79490741) is 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide?
The InChIKey is LGWCCLZQFKZNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-11(6-2)16(7-10(3)4)14(17)12-8-18-9-13(12)15/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide?
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide is sourced from PubChem (CID 79490741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).