N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide

C24H31NO5 — CID 157320847

IUPACN-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1-c1cccc(C)c1
InChIInChI=1S/C24H31NO5/c1-14-5-4-6-19(11-14)20-12-17(7-8-18(20)9-10-25-16(3)26)13-21-23(28)24(29)22(27)15(2)30-21/h4-8,11-12,15,21-24,27-29H,9-10,13H2,1-3H3,(H,25,26)/t15-,21-,22-,23-,24+/m0/s1
InChIKeyQBTQJJBYDYDJGG-ZYKPDOIRSA-N
MW413.51 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide

N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide (PubChem CID 157320847) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide
PubChem CID157320847
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC NameN-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1-c1cccc(C)c1
InChIInChI=1S/C24H31NO5/c1-14-5-4-6-19(11-14)20-12-17(7-8-18(20)9-10-25-16(3)26)13-21-23(28)24(29)22(27)15(2)30-21/h4-8,11-12,15,21-24,27-29H,9-10,13H2,1-3H3,(H,25,26)/t15-,21-,22-,23-,24+/m0/s1
InChIKeyQBTQJJBYDYDJGG-ZYKPDOIRSA-N
XLogP1.75
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]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

N-[2-[4-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)methyl]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 170402590
CID 157243310
CID 157243310
N-[2-[4-[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365052
[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenyl] acetate
CID 159122206
N-[2-[4-(3,4-dihydroxyoxolan-2-yl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134297173
[(2S,3R,4R,5R,6S)-2-[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenoxy]-4-hydroxy-5-methoxy-6-methyloxan-3-yl] benzoate
CID 163513640
N-[2-[4-[(2R,3R,4S,5R,6R)-6-butyl-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 170405856
N-[2-[4-[[(3aR,4S,6S,7S,7aR)-7-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 158691843
N-[2-[4-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-5-methoxy-6-prop-2-enyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153364985
N-[2-[4-[(3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 71696417
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[2-[4-[4-[(4-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134281004

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide (CID 157320847) is N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1-c1cccc(C)c1.
What is the InChIKey of N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide?
The InChIKey is QBTQJJBYDYDJGG-ZYKPDOIRSA-N. The full InChI is InChI=1S/C24H31NO5/c1-14-5-4-6-19(11-14)20-12-17(7-8-18(20)9-10-25-16(3)26)13-21-23(28)24(29)22(27)15(2)30-21/h4-8,11-12,15,21-24,27-29H,9-10,13H2,1-3H3,(H,25,26)/t15-,21-,22-,23-,24+/m0/s1.
What are the key properties of N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide?
N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide has a molecular weight of 413.51 g/mol, XLogP of 1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylphenyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 157320847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).