N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide

C12H24N2O2 — CID 107158348

IUPACN-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
SMILESCC(C)(C)CC(N)CNC(=O)C1CCOC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)6-10(13)7-14-11(15)9-4-5-16-8-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyZEHMXBODLSGJTP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds4

About N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide

N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide (PubChem CID 107158348) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
PubChem CID107158348
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
SMILESCC(C)(C)CC(N)CNC(=O)C1CCOC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)6-10(13)7-14-11(15)9-4-5-16-8-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyZEHMXBODLSGJTP-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
CID 56804759
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide (CID 107158348) is N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide is CC(C)(C)CC(N)CNC(=O)C1CCOC1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide?
The InChIKey is ZEHMXBODLSGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)6-10(13)7-14-11(15)9-4-5-16-8-9/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide?
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide is sourced from PubChem (CID 107158348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).