4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide

C13H26N2O3 — CID 82941679

IUPAC4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
SMILESCCCOCCCNC(=O)C1COCC1NCC
InChIInChI=1S/C13H26N2O3/c1-3-7-17-8-5-6-15-13(16)11-9-18-10-12(11)14-4-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyGSWCYHGRWGODLM-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.54
Rot. Bonds9

About 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide

4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide (PubChem CID 82941679) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
PubChem CID82941679
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
SMILESCCCOCCCNC(=O)C1COCC1NCC
InChIInChI=1S/C13H26N2O3/c1-3-7-17-8-5-6-15-13(16)11-9-18-10-12(11)14-4-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyGSWCYHGRWGODLM-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.54
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

N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
CID 66259488
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258082
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
4-(ethylamino)-N-(2-morpholin-4-ylethyl)oxolane-3-carboxamide
CID 66260000

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide (CID 82941679) is 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide is CCCOCCCNC(=O)C1COCC1NCC.
What is the InChIKey of 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide?
The InChIKey is GSWCYHGRWGODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-7-17-8-5-6-15-13(16)11-9-18-10-12(11)14-4-2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide?
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide is sourced from PubChem (CID 82941679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).