N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C23H33N5O3 — CID 110129987

IUPACN-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3cc(C(C)C)nn3)c2)O[C@@H](C(C)C)C1
InChIInChI=1S/C23H33N5O3/c1-14(2)20-12-28(27-26-20)13-23(30)25-18-8-6-7-17(9-18)22-11-19(24-16(5)29)10-21(31-22)15(3)4/h6-9,12,14-15,19,21-22H,10-11,13H2,1-5H3,(H,24,29)(H,25,30)/t19-,21-,22+/m1/s1
InChIKeyGVWWELJSYYKEQN-FCEUIQTBSA-N
MW427.55 g/mol
LogP3.42
Rot. Bonds7

About N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 110129987) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID110129987
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3cc(C(C)C)nn3)c2)O[C@@H](C(C)C)C1
InChIInChI=1S/C23H33N5O3/c1-14(2)20-12-28(27-26-20)13-23(30)25-18-8-6-7-17(9-18)22-11-19(24-16(5)29)10-21(31-22)15(3)4/h6-9,12,14-15,19,21-22H,10-11,13H2,1-5H3,(H,24,29)(H,25,30)/t19-,21-,22+/m1/s1
InChIKeyGVWWELJSYYKEQN-FCEUIQTBSA-N
XLogP3.42
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 110130091
N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 110129982
N-[3-[(2R,4S)-4-acetamidooxan-2-yl]phenyl]-2-(benzotriazol-1-yl)acetamide
CID 110129816
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 116642196
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 110129987) is N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3cc(C(C)C)nn3)c2)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is GVWWELJSYYKEQN-FCEUIQTBSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-14(2)20-12-28(27-26-20)13-23(30)25-18-8-6-7-17(9-18)22-11-19(24-16(5)29)10-21(31-22)15(3)4/h6-9,12,14-15,19,21-22H,10-11,13H2,1-5H3,(H,24,29)(H,25,30)/t19-,21-,22+/m1/s1.
What are the key properties of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 427.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 110129987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).