N-(4-aminobutan-2-yl)oxane-4-carboxamide

C10H20N2O2 — CID 62905815

IUPACN-(4-aminobutan-2-yl)oxane-4-carboxamide
SMILESCC(CCN)NC(=O)C1CCOCC1
InChIInChI=1S/C10H20N2O2/c1-8(2-5-11)12-10(13)9-3-6-14-7-4-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyJDLBQONZRPSWGY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.27
Rot. Bonds4

About N-(4-aminobutan-2-yl)oxane-4-carboxamide

N-(4-aminobutan-2-yl)oxane-4-carboxamide (PubChem CID 62905815) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)oxane-4-carboxamide
PubChem CID62905815
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(4-aminobutan-2-yl)oxane-4-carboxamide
SMILESCC(CCN)NC(=O)C1CCOCC1
InChIInChI=1S/C10H20N2O2/c1-8(2-5-11)12-10(13)9-3-6-14-7-4-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyJDLBQONZRPSWGY-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
N-(1-chloropropan-2-yl)oxane-4-carboxamide
CID 114299496
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
N-(4-aminobutan-2-yl)oxane-4-sulfonamide
CID 62093127
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate
CID 95177987
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)oxane-4-carboxamide (CID 62905815) is N-(4-aminobutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)oxane-4-carboxamide is CC(CCN)NC(=O)C1CCOCC1.
What is the InChIKey of N-(4-aminobutan-2-yl)oxane-4-carboxamide?
The InChIKey is JDLBQONZRPSWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2-5-11)12-10(13)9-3-6-14-7-4-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of N-(4-aminobutan-2-yl)oxane-4-carboxamide?
N-(4-aminobutan-2-yl)oxane-4-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 62905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).