3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide

C11H22N2O2 — CID 64892703

IUPAC3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
SMILESCCC(C)N(CC)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H22N2O2/c1-4-9(3)13(5-2)10(14)11(12)6-7-15-8-11/h9H,4-8,12H2,1-3H3
InChIKeyPUGBJHCEEFGQMX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide

3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide (PubChem CID 64892703) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
PubChem CID64892703
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
SMILESCCC(C)N(CC)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H22N2O2/c1-4-9(3)13(5-2)10(14)11(12)6-7-15-8-11/h9H,4-8,12H2,1-3H3
InChIKeyPUGBJHCEEFGQMX-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
1-amino-N-butan-2-yl-N-ethylcyclobutane-1-carboxamide
CID 81178764
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
CID 115295136
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 64890963
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide
CID 64891148
methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 64890962
3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892755
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide (CID 64892703) is 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide is CCC(C)N(CC)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide?
The InChIKey is PUGBJHCEEFGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9(3)13(5-2)10(14)11(12)6-7-15-8-11/h9H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide?
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide is sourced from PubChem (CID 64892703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).