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

C17H27NO3 — CID 129002323

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C17H27NO3/c1-12-5-6-14(21-12)7-8-15(19)18-11-13-9-10-20-16(13)17(2,3)4/h5-6,13,16H,7-11H2,1-4H3,(H,18,19)/t13-,16+/m1/s1
InChIKeyZOIMDXUQYPPYMO-CJNGLKHVSA-N
MW293.41 g/mol
LogP3.09
Rot. Bonds5

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

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 129002323) 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]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
PubChem CID129002323
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)o1
InChIInChI=1S/C17H27NO3/c1-12-5-6-14(21-12)7-8-15(19)18-11-13-9-10-20-16(13)17(2,3)4/h5-6,13,16H,7-11H2,1-4H3,(H,18,19)/t13-,16+/m1/s1
InChIKeyZOIMDXUQYPPYMO-CJNGLKHVSA-N
XLogP3.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide 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-ethylfuran-2-carboxamide
CID 129003470
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86971593
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
CID 128998815
3-(furan-2-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propanamide
CID 129000871
N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 99830316
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 86817437
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128996574
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide (CID 129002323) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=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]-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is ZOIMDXUQYPPYMO-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-5-6-14(21-12)7-8-15(19)18-11-13-9-10-20-16(13)17(2,3)4/h5-6,13,16H,7-11H2,1-4H3,(H,18,19)/t13-,16+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 3.09, 5 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]-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 129002323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).