N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide

C14H26N2O3 — CID 154759417

IUPACN-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
SMILESCCCC(C)C(=O)NCCNC(=O)C1CCCOC1
InChIInChI=1S/C14H26N2O3/c1-3-5-11(2)13(17)15-7-8-16-14(18)12-6-4-9-19-10-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZIRODPJWPSXZHW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide

N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide (PubChem CID 154759417) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
PubChem CID154759417
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
SMILESCCCC(C)C(=O)NCCNC(=O)C1CCCOC1
InChIInChI=1S/C14H26N2O3/c1-3-5-11(2)13(17)15-7-8-16-14(18)12-6-4-9-19-10-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZIRODPJWPSXZHW-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
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

N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
CID 66181259
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
2-hydroxy-1-(oxan-3-yl)pentan-1-one
CID 107136058
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide (CID 154759417) is N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide is CCCC(C)C(=O)NCCNC(=O)C1CCCOC1.
What is the InChIKey of N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide?
The InChIKey is ZIRODPJWPSXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-11(2)13(17)15-7-8-16-14(18)12-6-4-9-19-10-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide?
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 154759417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).