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

C17H27NO3 — CID 128998815

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
SMILESCCc1cc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C17H27NO3/c1-6-13-9-11(2)14(21-13)16(19)18-10-12-7-8-20-15(12)17(3,4)5/h9,12,15H,6-8,10H2,1-5H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyAAKMCQNMFCSUIZ-DOMZBBRYSA-N
MW293.41 g/mol
LogP3.33
Rot. Bonds4

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

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide (PubChem CID 128998815) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
PubChem CID128998815
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
SMILESCCc1cc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C17H27NO3/c1-6-13-9-11(2)14(21-13)16(19)18-10-12-7-8-20-15(12)17(3,4)5/h9,12,15H,6-8,10H2,1-5H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyAAKMCQNMFCSUIZ-DOMZBBRYSA-N
XLogP3.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
CID 129003470
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
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998579
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
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
CID 129002323
N-[[(2S,3S)-2-tert-butyloxolan-3-yl]methyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95930498
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 129003469
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128996574
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129492497
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide (CID 128998815) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide is CCc1cc(C)c(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-ethyl-3-methylfuran-2-carboxamide?
The InChIKey is AAKMCQNMFCSUIZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-13-9-11(2)14(21-13)16(19)18-10-12-7-8-20-15(12)17(3,4)5/h9,12,15H,6-8,10H2,1-5H3,(H,18,19)/t12-,15+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.33, 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-ethyl-3-methylfuran-2-carboxamide is sourced from PubChem (CID 128998815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).