4-amino-N-butyloxane-4-carboxamide

C10H20N2O2 — CID 115293500

IUPAC4-amino-N-butyloxane-4-carboxamide
SMILESCCCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-6-12-9(13)10(11)4-7-14-8-5-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyPJNPGFAJHYUOSY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds4

About 4-amino-N-butyloxane-4-carboxamide

4-amino-N-butyloxane-4-carboxamide (PubChem CID 115293500) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-N-butyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyloxane-4-carboxamide
PubChem CID115293500
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-N-butyloxane-4-carboxamide
SMILESCCCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-6-12-9(13)10(11)4-7-14-8-5-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyPJNPGFAJHYUOSY-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
CID 113280697
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
4-amino-N-[2-(ethylsulfamoyl)ethyl]oxane-4-carboxamide
CID 103845768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-butyloxane-4-carboxamide (CID 115293500) is 4-amino-N-butyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-butyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-butyloxane-4-carboxamide is CCCCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-butyloxane-4-carboxamide?
The InChIKey is PJNPGFAJHYUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-6-12-9(13)10(11)4-7-14-8-5-10/h2-8,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-butyloxane-4-carboxamide?
4-amino-N-butyloxane-4-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyloxane-4-carboxamide is sourced from PubChem (CID 115293500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).