N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide

C16H25NO3 — CID 129003470

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C16H25NO3/c1-5-12-6-7-13(20-12)15(18)17-10-11-8-9-19-14(11)16(2,3)4/h6-7,11,14H,5,8-10H2,1-4H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyAPRCYHDMGUCJTQ-RISCZKNCSA-N
MW279.38 g/mol
LogP3.02
Rot. Bonds4

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide (PubChem CID 129003470) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
PubChem CID129003470
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C16H25NO3/c1-5-12-6-7-13(20-12)15(18)17-10-11-8-9-19-14(11)16(2,3)4/h6-7,11,14H,5,8-10H2,1-4H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyAPRCYHDMGUCJTQ-RISCZKNCSA-N
XLogP3.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
CID 128998815
5-ethyl-N-[(2-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64929693
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 129001930
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 129003469
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
CID 129002323
5-ethyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 79095320
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 129001929
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 129001970
4-[[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111624289

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide (CID 129003470) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide?
The InChIKey is APRCYHDMGUCJTQ-RISCZKNCSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12-6-7-13(20-12)15(18)17-10-11-8-9-19-14(11)16(2,3)4/h6-7,11,14H,5,8-10H2,1-4H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 129003470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).