2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide

C19H22N4O2 — CID 166195593

IUPAC2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(NCc2[nH]nc3ccccc23)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C19H22N4O2/c1-13-8-9-16(18(10-13)25-12-19(24)23(2)3)20-11-17-14-6-4-5-7-15(14)21-22-17/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyIFRBYMSJJNYCBZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.95
Rot. Bonds6

About 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide

2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 166195593) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide
PubChem CID166195593
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(NCc2[nH]nc3ccccc23)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C19H22N4O2/c1-13-8-9-16(18(10-13)25-12-19(24)23(2)3)20-11-17-14-6-4-5-7-15(14)21-22-17/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyIFRBYMSJJNYCBZ-UHFFFAOYSA-N
XLogP2.95
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
CID 52506239
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94647418
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
CID 94796559
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide (CID 166195593) is 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide is Cc1ccc(NCc2[nH]nc3ccccc23)c(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is IFRBYMSJJNYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-8-9-16(18(10-13)25-12-19(24)23(2)3)20-11-17-14-6-4-5-7-15(14)21-22-17/h4-10,20H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide?
2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 166195593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).