2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide

C18H23N5O3 — CID 170602937

IUPAC2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
SMILESC/N=C(\C(=O)NC(C)(C)C=O)c1cc(OCc2ccnn2C)ccc1N
InChIInChI=1S/C18H23N5O3/c1-18(2,11-24)22-17(25)16(20-3)14-9-13(5-6-15(14)19)26-10-12-7-8-21-23(12)4/h5-9,11H,10,19H2,1-4H3,(H,22,25)/b20-16-
InChIKeyWEZZCSGWGNDOGL-SILNSSARSA-N
MW357.41 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide

2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide (PubChem CID 170602937) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
PubChem CID170602937
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
SMILESC/N=C(\C(=O)NC(C)(C)C=O)c1cc(OCc2ccnn2C)ccc1N
InChIInChI=1S/C18H23N5O3/c1-18(2,11-24)22-17(25)16(20-3)14-9-13(5-6-15(14)19)26-10-12-7-8-21-23(12)4/h5-9,11H,10,19H2,1-4H3,(H,22,25)/b20-16-
InChIKeyWEZZCSGWGNDOGL-SILNSSARSA-N
XLogP1.09
TPSA111.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
CID 170416750
2-[2-amino-5-[(2-fluorophenyl)methoxy]phenyl]-N-[2-formyl-1-hydroxy-4-(methylamino)butan-2-yl]-2-methyliminoacetamide
CID 170602950
2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide
CID 170602626
2-[2-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyliminoacetamide
CID 170417941
2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide
CID 170602709
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
CID 170418557
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380170
2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide
CID 170416741
2-(2-amino-5-phenylmethoxyphenyl)-N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyliminoacetamide
CID 170602908
1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine
CID 168603952
N-[2-formyl-1-hydroxy-4-(methylamino)butan-2-yl]-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380885
tert-butyl 6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 158892244

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide?
The IUPAC name of 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide (CID 170602937) is 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide?
The canonical SMILES for 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide is C/N=C(\C(=O)NC(C)(C)C=O)c1cc(OCc2ccnn2C)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide?
The InChIKey is WEZZCSGWGNDOGL-SILNSSARSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-18(2,11-24)22-17(25)16(20-3)14-9-13(5-6-15(14)19)26-10-12-7-8-21-23(12)4/h5-9,11H,10,19H2,1-4H3,(H,22,25)/b20-16-.
What are the key properties of 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide?
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide is sourced from PubChem (CID 170602937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).