N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide

C19H27NO4 — CID 157013290

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(CCCC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1
InChIInChI=1S/C19H27NO4/c1-12(2)14-8-6-13(7-9-14)4-3-5-17(22)20-15-10-23-19-16(21)11-24-18(15)19/h6-9,12,15-16,18-19,21H,3-5,10-11H2,1-2H3,(H,20,22)/t15-,16-,18-,19-/m1/s1
InChIKeyAZLLHNPFYANDNV-PSBWJHGTSA-N
MW333.43 g/mol
LogP1.78
Rot. Bonds6

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide (PubChem CID 157013290) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide
PubChem CID157013290
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(CCCC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1
InChIInChI=1S/C19H27NO4/c1-12(2)14-8-6-13(7-9-14)4-3-5-17(22)20-15-10-23-19-16(21)11-24-18(15)19/h6-9,12,15-16,18-19,21H,3-5,10-11H2,1-2H3,(H,20,22)/t15-,16-,18-,19-/m1/s1
InChIKeyAZLLHNPFYANDNV-PSBWJHGTSA-N
XLogP1.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide 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',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
CID 116847673
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-chlorophenyl)propanamide
CID 155909570
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
CID 41455014
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
CID 154822153
2-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 171318112
methyl 2-methyl-3-[[4-[4-(4-propan-2-ylphenyl)butanoylamino]cyclohexanecarbonyl]amino]propanoate
CID 169416174
1-[(3R,3aR,6R,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 163039885
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide (CID 157013290) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(CCCC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide?
The InChIKey is AZLLHNPFYANDNV-PSBWJHGTSA-N. The full InChI is InChI=1S/C19H27NO4/c1-12(2)14-8-6-13(7-9-14)4-3-5-17(22)20-15-10-23-19-16(21)11-24-18(15)19/h6-9,12,15-16,18-19,21H,3-5,10-11H2,1-2H3,(H,20,22)/t15-,16-,18-,19-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide has a molecular weight of 333.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 157013290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).