4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide

C11H22N2O3 — CID 82724349

IUPAC4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NOC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-12-9-7-15-6-8(9)10(14)13-16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyGIGYNWPWQIWHRL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.46
Rot. Bonds4

About 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide

4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide (PubChem CID 82724349) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide
PubChem CID82724349
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NOC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-12-9-7-15-6-8(9)10(14)13-16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyGIGYNWPWQIWHRL-UHFFFAOYSA-N
XLogP0.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl 4-(ethylamino)oxolane-3-carboxylate
CID 112588000
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
N-[2-(dimethylamino)-2-methylpropyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66259668
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-(2-methylcyclohexyl)oxolane-3-carboxamide
CID 66259421
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide (CID 82724349) is 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide is CCNC1COCC1C(=O)NOC(C)(C)C.
What is the InChIKey of 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide?
The InChIKey is GIGYNWPWQIWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-12-9-7-15-6-8(9)10(14)13-16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide?
4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide is sourced from PubChem (CID 82724349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).