N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide

C16H28N4O3 — CID 75536529

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O
InChIInChI=1S/C16H28N4O3/c1-16(2,3)7-14(21)19-8-12-15(22)11(10-23-12)18-9-13-17-5-6-20(13)4/h5-6,11-12,15,18,22H,7-10H2,1-4H3,(H,19,21)/t11-,12-,15+/m1/s1
InChIKeyFNMPYYNWCPKUQH-JMSVASOKSA-N
MW324.43 g/mol
LogP0.19
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536529) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536529
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O
InChIInChI=1S/C16H28N4O3/c1-16(2,3)7-14(21)19-8-12-15(22)11(10-23-12)18-9-13-17-5-6-20(13)4/h5-6,11-12,15,18,22H,7-10H2,1-4H3,(H,19,21)/t11-,12-,15+/m1/s1
InChIKeyFNMPYYNWCPKUQH-JMSVASOKSA-N
XLogP0.19
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide 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

4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536647
N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 162790079
(2S,3R,4S)-4-[(1-methylimidazol-2-yl)methylamino]-2-[(4-methylpiperazin-1-yl)methyl]oxolan-3-ol
CID 125417665
(2S,3R,4S)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
CID 125417535
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(3S,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]-3,3-dimethylbutanamide
CID 125418020
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292
1-[[4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 162971475
2-[(2S,3aR,5R,6R,6aR)-6-hydroxy-5-[(propan-2-ylcarbamoylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 100609086

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536529) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide is Cn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is FNMPYYNWCPKUQH-JMSVASOKSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2,3)7-14(21)19-8-12-15(22)11(10-23-12)18-9-13-17-5-6-20(13)4/h5-6,11-12,15,18,22H,7-10H2,1-4H3,(H,19,21)/t11-,12-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 324.43 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).