N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide

C10H19NO5 — CID 139440455

IUPACN,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide
SMILESC[C@@H]1OC(CC(=O)N(C)C)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO5/c1-5-8(13)10(15)9(14)6(16-5)4-7(12)11(2)3/h5-6,8-10,13-15H,4H2,1-3H3/t5-,6?,8+,9-,10-/m0/s1
InChIKeyRMOZMEACPFCKJD-LFZDYJDNSA-N
MW233.26 g/mol
LogP-1.67
Rot. Bonds2

About N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide

N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide (PubChem CID 139440455) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide
PubChem CID139440455
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide
SMILESC[C@@H]1OC(CC(=O)N(C)C)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO5/c1-5-8(13)10(15)9(14)6(16-5)4-7(12)11(2)3/h5-6,8-10,13-15H,4H2,1-3H3/t5-,6?,8+,9-,10-/m0/s1
InChIKeyRMOZMEACPFCKJD-LFZDYJDNSA-N
XLogP-1.67
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide 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

2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride
CID 88976644
2-(3,4,5-trihydroxy-6-methyloxan-2-yl)acetaldehyde
CID 88533979
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide (CID 139440455) is N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide is C[C@@H]1OC(CC(=O)N(C)C)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide?
The InChIKey is RMOZMEACPFCKJD-LFZDYJDNSA-N. The full InChI is InChI=1S/C10H19NO5/c1-5-8(13)10(15)9(14)6(16-5)4-7(12)11(2)3/h5-6,8-10,13-15H,4H2,1-3H3/t5-,6?,8+,9-,10-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide?
N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide has a molecular weight of 233.26 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide is sourced from PubChem (CID 139440455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).