N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine

C24H33NO6 — CID 134883893

IUPACN-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
SMILESCC(C)C(C#Cc1ccccc1)N(O)C1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C24H33NO6/c1-15(2)17(13-12-16-10-8-7-9-11-16)25(26)22-21-20(30-24(5,6)31-21)19(28-22)18-14-27-23(3,4)29-18/h7-11,15,17-22,26H,14H2,1-6H3/t17?,18-,19-,20+,21+,22?/m1/s1
InChIKeyNPXFWFITNSPLOS-QRZRZQRGSA-N
MW431.53 g/mol
LogP3.15
Rot. Bonds4

About N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine

N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine (PubChem CID 134883893) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
PubChem CID134883893
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC NameN-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
SMILESCC(C)C(C#Cc1ccccc1)N(O)C1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C24H33NO6/c1-15(2)17(13-12-16-10-8-7-9-11-16)25(26)22-21-20(30-24(5,6)31-21)19(28-22)18-14-27-23(3,4)29-18/h7-11,15,17-22,26H,14H2,1-6H3/t17?,18-,19-,20+,21+,22?/m1/s1
InChIKeyNPXFWFITNSPLOS-QRZRZQRGSA-N
XLogP3.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine 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

(3R,5S)-2-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(iodomethyl)-3-phenyl-1,2-oxazolidine
CID 376318
N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-alpha-D-mannofuranose
CID 10618829
N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-benzylhydroxylamine
CID 134851521
N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine
CID 134883828
5-[[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-hydroxyamino]-2-methyl-5-phenylpent-3-yn-2-ol
CID 134883829
N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-phenylbut-3-yn-2-yl)hydroxylamine
CID 134884032
N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(1,3-diphenylprop-2-ynyl)hydroxylamine
CID 134884114
N-[(3aS,4R,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-benzylhydroxylamine
CID 134926009
CID 134973998
CID 134973998
2-[6-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-5-iodomethyl-3-phenyl-isoxazolidine
CID 495519
(3R,3aS,6aR)-1-benzyl-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3a,4,6,6a-tetrahydro-3H-furo[3,4-c][1,2]oxazole
CID 14660736
(3S,5R)-2-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(iodomethyl)-3-phenyl-1,2-oxazolidine
CID 21582115

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The IUPAC name of N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine (CID 134883893) is N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The canonical SMILES for N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine is CC(C)C(C#Cc1ccccc1)N(O)C1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The InChIKey is NPXFWFITNSPLOS-QRZRZQRGSA-N. The full InChI is InChI=1S/C24H33NO6/c1-15(2)17(13-12-16-10-8-7-9-11-16)25(26)22-21-20(30-24(5,6)31-21)19(28-22)18-14-27-23(3,4)29-18/h7-11,15,17-22,26H,14H2,1-6H3/t17?,18-,19-,20+,21+,22?/m1/s1.
What are the key properties of N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine has a molecular weight of 431.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine is sourced from PubChem (CID 134883893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).