4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide

C12H20N2O2 — CID 106221939

IUPAC4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
SMILESC#CCCCNC(=O)C1COCC1NCC
InChIInChI=1S/C12H20N2O2/c1-3-5-6-7-14-12(15)10-8-16-9-11(10)13-4-2/h1,10-11,13H,4-9H2,2H3,(H,14,15)
InChIKeyVNWPKWGAFXXYHT-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.14
Rot. Bonds6

About 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide

4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide (PubChem CID 106221939) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
PubChem CID106221939
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
SMILESC#CCCCNC(=O)C1COCC1NCC
InChIInChI=1S/C12H20N2O2/c1-3-5-6-7-14-12(15)10-8-16-9-11(10)13-4-2/h1,10-11,13H,4-9H2,2H3,(H,14,15)
InChIKeyVNWPKWGAFXXYHT-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
CID 66259488
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
4-(ethylamino)-N-(2-morpholin-4-ylethyl)oxolane-3-carboxamide
CID 66260000
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
CID 66257371
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide (CID 106221939) is 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide is C#CCCCNC(=O)C1COCC1NCC.
What is the InChIKey of 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide?
The InChIKey is VNWPKWGAFXXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-6-7-14-12(15)10-8-16-9-11(10)13-4-2/h1,10-11,13H,4-9H2,2H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide?
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide is sourced from PubChem (CID 106221939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).