N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide

C19H21N3O2 — CID 3342933

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)C(C)n2nc(C)c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-13-17-6-4-5-7-18(17)22(21-13)14(2)19(23)20-12-15-8-10-16(24-3)11-9-15/h4-11,14H,12H2,1-3H3,(H,20,23)
InChIKeyMETMNYYUQHPZML-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide

N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide (PubChem CID 3342933) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide
PubChem CID3342933
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)C(C)n2nc(C)c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-13-17-6-4-5-7-18(17)22(21-13)14(2)19(23)20-12-15-8-10-16(24-3)11-9-15/h4-11,14H,12H2,1-3H3,(H,20,23)
InChIKeyMETMNYYUQHPZML-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
CID 22510293
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
N-cycloheptyl-2-(3-methylindazol-1-yl)propanamide
CID 22509795
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide (CID 3342933) is N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide is COc1ccc(CNC(=O)C(C)n2nc(C)c3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide?
The InChIKey is METMNYYUQHPZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-17-6-4-5-7-18(17)22(21-13)14(2)19(23)20-12-15-8-10-16(24-3)11-9-15/h4-11,14H,12H2,1-3H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide?
N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide is sourced from PubChem (CID 3342933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).