N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

C17H24N4O3 — CID 90069302

IUPACN-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)COCOC
InChIInChI=1S/C17H24N4O3/c1-5-20(14(3)11-24-12-23-4)17(22)15-10-13(2)6-7-16(15)21-18-8-9-19-21/h6-10,14H,5,11-12H2,1-4H3/t14-/m0/s1
InChIKeyYQXUBTNIGRAJCL-AWEZNQCLSA-N
MW332.40 g/mol
LogP2.05
Rot. Bonds8

About N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 90069302) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID90069302
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)COCOC
InChIInChI=1S/C17H24N4O3/c1-5-20(14(3)11-24-12-23-4)17(22)15-10-13(2)6-7-16(15)21-18-8-9-19-21/h6-10,14H,5,11-12H2,1-4H3/t14-/m0/s1
InChIKeyYQXUBTNIGRAJCL-AWEZNQCLSA-N
XLogP2.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069281
N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72699857
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569720
N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700364
2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 65454499
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72699854
N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72699515
N-(2-cyanoethyl)-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 118021085
N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703204
N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72699760
N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703202
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 90069302) is N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)COCOC.
What is the InChIKey of N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is YQXUBTNIGRAJCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-20(14(3)11-24-12-23-4)17(22)15-10-13(2)6-7-16(15)21-18-8-9-19-21/h6-10,14H,5,11-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 332.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 90069302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).