2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide

C19H22N4O2 — CID 10712051

IUPAC2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(N)c1
InChIInChI=1S/C19H22N4O2/c1-12-16(10-19(24)22-21)17-9-15(25-2)6-7-18(17)23(12)11-13-4-3-5-14(20)8-13/h3-9H,10-11,20-21H2,1-2H3,(H,22,24)
InChIKeyAABQTLBBLQKBGK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide

2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide (PubChem CID 10712051) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
PubChem CID10712051
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(N)c1
InChIInChI=1S/C19H22N4O2/c1-12-16(10-19(24)22-21)17-9-15(25-2)6-7-18(17)23(12)11-13-4-3-5-14(20)8-13/h3-9H,10-11,20-21H2,1-2H3,(H,22,24)
InChIKeyAABQTLBBLQKBGK-UHFFFAOYSA-N
XLogP2.12
TPSA95.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10832199
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
ethyl 1-benzyl-3-(2-hydrazinyl-2-oxoethyl)-2-methylindole-5-carboxylate
CID 142656903
methyl 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 154279284
methyl 2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 54300597
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
CID 10732494
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87775141
2-[[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dimethyloctanamide
CID 67563171
dimethyl 2-[2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]ethyl]propanedioate
CID 134906995
ethyl 4-[1-benzyl-3-(2-methoxy-2-oxoethyl)-2-methylindol-5-yl]oxybutanoate
CID 10550211

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The IUPAC name of 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide (CID 10712051) is 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The canonical SMILES for 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide is COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(N)c1.
What is the InChIKey of 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The InChIKey is AABQTLBBLQKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-16(10-19(24)22-21)17-9-15(25-2)6-7-18(17)23(12)11-13-4-3-5-14(20)8-13/h3-9H,10-11,20-21H2,1-2H3,(H,22,24).
What are the key properties of 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide is sourced from PubChem (CID 10712051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).