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

C15H20N4O3 — CID 90069281

IUPACN-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCOCOC[C@H](C)NC(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C15H20N4O3/c1-11-4-5-14(19-16-6-7-17-19)13(8-11)15(20)18-12(2)9-22-10-21-3/h4-8,12H,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyKJLRSUBHSPWFFO-LBPRGKRZSA-N
MW304.35 g/mol
LogP1.31
Rot. Bonds7

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

N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 90069281) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID90069281
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCOCOC[C@H](C)NC(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C15H20N4O3/c1-11-4-5-14(19-16-6-7-17-19)13(8-11)15(20)18-12(2)9-22-10-21-3/h4-8,12H,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyKJLRSUBHSPWFFO-LBPRGKRZSA-N
XLogP1.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069302
N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 118020648
N-[(2R)-4-[(5-formyl-6-methyl-2-pyridinyl)amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 147804537
N-[(2R)-4-[[5-(hydroxymethyl)-6-methyl-2-pyridinyl]amino]butan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 159123133
5-methyl-N-[(2R)-4-(7H-pyrano[2,3-d]pyrimidin-2-ylamino)butan-2-yl]-2-(triazol-2-yl)benzamide
CID 163713310
N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide
CID 62510998
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797
methyl 3-[N-(2-aminoethyl)-5-methyl-2-(triazol-2-yl)anilino]butanoate
CID 118865750
N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride
CID 118326090

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 90069281) is N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is COCOC[C@H](C)NC(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is KJLRSUBHSPWFFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11-4-5-14(19-16-6-7-17-19)13(8-11)15(20)18-12(2)9-22-10-21-3/h4-8,12H,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 304.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 90069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).