N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide

C14H28N2O2 — CID 66258493

IUPACN-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-15-12-9-18-8-11(12)13(17)16(6)10(2)14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyIZFORFJTTKTSIH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.50
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide (PubChem CID 66258493) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
PubChem CID66258493
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-15-12-9-18-8-11(12)13(17)16(6)10(2)14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyIZFORFJTTKTSIH-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
CID 66259275
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426
1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
CID 116587978
N-[2-(dimethylamino)-2-methylpropyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66259668
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propyloxolane-3-carboxamide
CID 66259680
4-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]benzoic acid
CID 104698721
propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148
N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66260067
N-cyclopropyl-4-(ethylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66259297
4-(ethylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)oxolane-3-carboxamide
CID 66259105
2-ethyl-1-[4-(ethylamino)oxolan-3-yl]butan-1-one
CID 116588173

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide (CID 66258493) is N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The InChIKey is IZFORFJTTKTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-15-12-9-18-8-11(12)13(17)16(6)10(2)14(3,4)5/h10-12,15H,7-9H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66258493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).