N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide

C14H28N2O3 — CID 66255585

IUPACN-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCCOCCNC(=O)C1COCC1NCCC
InChIInChI=1S/C14H28N2O3/c1-3-5-8-18-9-7-16-14(17)12-10-19-11-13(12)15-6-4-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyQFPRNYYOSWHIQY-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.93
Rot. Bonds10

About N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide

N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255585) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255585
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCCOCCNC(=O)C1COCC1NCCC
InChIInChI=1S/C14H28N2O3/c1-3-5-8-18-9-7-16-14(17)12-10-19-11-13(12)15-6-4-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyQFPRNYYOSWHIQY-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide (CID 66255585) is N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide is CCCCOCCNC(=O)C1COCC1NCCC.
What is the InChIKey of N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is QFPRNYYOSWHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-5-8-18-9-7-16-14(17)12-10-19-11-13(12)15-6-4-2/h12-13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).