2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C14H25N5O2 — CID 118793368

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H25N5O2/c1-4-5-19-10-16-17-13(19)6-15-14(20)9-18-7-11(2)21-12(3)8-18/h10-12H,4-9H2,1-3H3,(H,15,20)/t11-,12+
InChIKeyVWZQJMQCQSDPBK-TXEJJXNPSA-N
MW295.39 g/mol
LogP0.41
Rot. Bonds6

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 118793368) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID118793368
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H25N5O2/c1-4-5-19-10-16-17-13(19)6-15-14(20)9-18-7-11(2)21-12(3)8-18/h10-12H,4-9H2,1-3H3,(H,15,20)/t11-,12+
InChIKeyVWZQJMQCQSDPBK-TXEJJXNPSA-N
XLogP0.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide with MolForge

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Related Compounds

(3S)-3-(azepan-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 124842564
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91785470
2-(4-chlorophenyl)sulfanyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 91840002
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 118770404
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126439178
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
8-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72927823
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide
CID 124869439

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 118793368) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CNC(=O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VWZQJMQCQSDPBK-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-5-19-10-16-17-13(19)6-15-14(20)9-18-7-11(2)21-12(3)8-18/h10-12H,4-9H2,1-3H3,(H,15,20)/t11-,12+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 295.39 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 118793368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).