4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide

C12H25N3O2 — CID 66238292

IUPAC4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1COCC1N
InChIInChI=1S/C12H25N3O2/c1-8(2)11(5-15(3)4)14-12(16)9-6-17-7-10(9)13/h8-11H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyYRLGBWUWEFHORO-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.34
Rot. Bonds5

About 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide (PubChem CID 66238292) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
PubChem CID66238292
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1COCC1N
InChIInChI=1S/C12H25N3O2/c1-8(2)11(5-15(3)4)14-12(16)9-6-17-7-10(9)13/h8-11H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyYRLGBWUWEFHORO-UHFFFAOYSA-N
XLogP-0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
CID 66237272
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66237262
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
CID 66240452
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide (CID 66238292) is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide is CC(C)C(CN(C)C)NC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide?
The InChIKey is YRLGBWUWEFHORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)11(5-15(3)4)14-12(16)9-6-17-7-10(9)13/h8-11H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide?
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 66238292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).