2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C16H21N5O3 — CID 124614375

IUPAC2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C16H21N5O3/c1-23-16-18-15(19-20-16)17-14(22)9-13-11-21(7-8-24-13)10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,17,18,19,20,22)/t13-/m0/s1
InChIKeyZPZQOAQZDZRVPM-ZDUSSCGKSA-N
MW331.38 g/mol
LogP1.04
Rot. Bonds6

About 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 124614375) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID124614375
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C16H21N5O3/c1-23-16-18-15(19-20-16)17-14(22)9-13-11-21(7-8-24-13)10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,17,18,19,20,22)/t13-/m0/s1
InChIKeyZPZQOAQZDZRVPM-ZDUSSCGKSA-N
XLogP1.04
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439513
2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide
CID 10479727
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(4-benzylmorpholin-2-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 118769797
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
2-[(2S)-4-benzylmorpholin-2-yl]-N-[4-(hydroxymethyl)-3-pyridinyl]acetamide
CID 124576318
3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide
CID 136529335
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 124614375) is 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1.
What is the InChIKey of 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ZPZQOAQZDZRVPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-16-18-15(19-20-16)17-14(22)9-13-11-21(7-8-24-13)10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,17,18,19,20,22)/t13-/m0/s1.
What are the key properties of 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 124614375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).