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

C14H20N2O5 — CID 7153148

IUPACN-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C14H20N2O5/c1-7-11(18)12(19)13(20)14(21-7)16-10-5-3-9(4-6-10)15-8(2)17/h3-7,11-14,16,18-20H,1-2H3,(H,15,17)/t7-,11-,12-,13-,14+/m0/s1
InChIKeyQEPXTUBPORTCIG-NOOROHOASA-N
MW296.32 g/mol
LogP-0.12
Rot. Bonds3

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

N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide (PubChem CID 7153148) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide
PubChem CID7153148
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C14H20N2O5/c1-7-11(18)12(19)13(20)14(21-7)16-10-5-3-9(4-6-10)15-8(2)17/h3-7,11-14,16,18-20H,1-2H3,(H,15,17)/t7-,11-,12-,13-,14+/m0/s1
InChIKeyQEPXTUBPORTCIG-NOOROHOASA-N
XLogP-0.12
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

1-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]ethanone
CID 98191056
1-[4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]ethanone
CID 7098130
4-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoic acid
CID 124723583
(2R,3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 7300080
(2S,3R,4R,5R,6S)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 124751187
4-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoate
CID 7069213
(2S,3R,4S,5R,6S)-2-(4-bromoanilino)-6-methyloxane-3,4,5-triol
CID 124775338
(2S,3S,4R,5R,6R)-2-methyl-6-[4-methyl-3-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]anilino]oxane-3,4,5-triol
CID 162885608
2-nitro-4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoate
CID 7124209
[[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino] N-phenylcarbamate
CID 137332107
2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoic acid
CID 51412271
1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone
CID 655527

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide (CID 7153148) is N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide?
The InChIKey is QEPXTUBPORTCIG-NOOROHOASA-N. The full InChI is InChI=1S/C14H20N2O5/c1-7-11(18)12(19)13(20)14(21-7)16-10-5-3-9(4-6-10)15-8(2)17/h3-7,11-14,16,18-20H,1-2H3,(H,15,17)/t7-,11-,12-,13-,14+/m0/s1.
What are the key properties of N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide?
N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide has a molecular weight of 296.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 7153148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).