4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide

C12H25N3O2 — CID 114134099

IUPAC4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1COCC1N
InChIInChI=1S/C12H25N3O2/c1-4-9(2)15(3)6-5-14-12(16)10-7-17-8-11(10)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyUZYHIXOVHUEVGZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds6

About 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide

4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide (PubChem CID 114134099) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
PubChem CID114134099
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1COCC1N
InChIInChI=1S/C12H25N3O2/c1-4-9(2)15(3)6-5-14-12(16)10-7-17-8-11(10)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyUZYHIXOVHUEVGZ-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397
(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide
CID 95167848
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
(2S,5R)-5-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799727
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide (CID 114134099) is 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide is CCC(C)N(C)CCNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide?
The InChIKey is UZYHIXOVHUEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-9(2)15(3)6-5-14-12(16)10-7-17-8-11(10)13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide?
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 114134099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).