2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide

C18H25N5O2 — CID 124881084

IUPAC2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCOC[C@H]1c1ncn(Cc2ccccc2)n1
InChIInChI=1S/C18H25N5O2/c1-14(2)20-17(24)11-22-8-9-25-12-16(22)18-19-13-23(21-18)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyZSFOJHKBJZOEAP-INIZCTEOSA-N
MW343.43 g/mol
LogP1.22
Rot. Bonds6

About 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide

2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide (PubChem CID 124881084) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide
PubChem CID124881084
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCOC[C@H]1c1ncn(Cc2ccccc2)n1
InChIInChI=1S/C18H25N5O2/c1-14(2)20-17(24)11-22-8-9-25-12-16(22)18-19-13-23(21-18)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyZSFOJHKBJZOEAP-INIZCTEOSA-N
XLogP1.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
(3S)-3-(1-benzyl-1,2,4-triazol-3-yl)-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 124882317
tert-butyl (3R)-3-[1-[(3-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]morpholine-4-carboxylate
CID 100761156
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
2-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 97343050
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 163710009
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide (CID 124881084) is 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCOC[C@H]1c1ncn(Cc2ccccc2)n1.
What is the InChIKey of 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is ZSFOJHKBJZOEAP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(2)20-17(24)11-22-8-9-25-12-16(22)18-19-13-23(21-18)10-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide?
2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 343.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1-benzyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 124881084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).