4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide

C24H33N3O4 — CID 28962173

IUPAC4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)cc1
InChIInChI=1S/C24H33N3O4/c1-26(2)19-11-9-18(10-12-19)24(30)25-15-20-22(23(29)21(16-28)31-20)27(3)14-13-17-7-5-4-6-8-17/h4-12,20-23,28-29H,13-16H2,1-3H3,(H,25,30)/t20-,21+,22+,23-/m1/s1
InChIKeyBXHRPRORXMTHAC-WZYRSQIMSA-N
MW427.55 g/mol
LogP1.15
Rot. Bonds9

About 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide

4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide (PubChem CID 28962173) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide
PubChem CID28962173
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)cc1
InChIInChI=1S/C24H33N3O4/c1-26(2)19-11-9-18(10-12-19)24(30)25-15-20-22(23(29)21(16-28)31-20)27(3)14-13-17-7-5-4-6-8-17/h4-12,20-23,28-29H,13-16H2,1-3H3,(H,25,30)/t20-,21+,22+,23-/m1/s1
InChIKeyBXHRPRORXMTHAC-WZYRSQIMSA-N
XLogP1.15
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide 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

1-(4-{[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-YL]amino}phenyl)ethanone
CID 655527
1-{4-[(3,4,5-Trihydroxy-6-methyloxan-2-YL)amino]phenyl}ethanone
CID 651901
4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2952359
N-[(2S,3R)-4-(cyclopentylamino)-3-hydroxy-1-phenylbutan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 71520008
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 71521282
N-methyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]-N-[(1S,2R,3R,4S)-1,2,3,4,5-pentahydroxypentyl]benzamide
CID 137646931
4-Dimethylamino-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 3118740
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-[(4-acetamidobenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 145980547
4-methyl-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2969540
N-(2,3-dihydroxypropyl)-4-(hexadecylamino)benzamide
CID 20437386
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-3-yl]methyl]benzamide
CID 118652220
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[(phenylcarbamothioylamino)methyl]oxolan-3-yl]methyl]benzamide
CID 118652242

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide (CID 28962173) is 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide is CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide?
The InChIKey is BXHRPRORXMTHAC-WZYRSQIMSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-26(2)19-11-9-18(10-12-19)24(30)25-15-20-22(23(29)21(16-28)31-20)27(3)14-13-17-7-5-4-6-8-17/h4-12,20-23,28-29H,13-16H2,1-3H3,(H,25,30)/t20-,21+,22+,23-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide?
4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 28962173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).