5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide

C19H24N2O3 — CID 120637316

IUPAC5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
SMILESCOCCOc1cc(C)ccc1CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C19H24N2O3/c1-13-4-6-15(18(10-13)24-9-8-23-3)12-21-19(22)17-11-16(20)7-5-14(17)2/h4-7,10-11H,8-9,12,20H2,1-3H3,(H,21,22)
InChIKeyMIMYZYUHULERQI-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.84
Rot. Bonds7

About 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide

5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide (PubChem CID 120637316) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
PubChem CID120637316
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
SMILESCOCCOc1cc(C)ccc1CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C19H24N2O3/c1-13-4-6-15(18(10-13)24-9-8-23-3)12-21-19(22)17-11-16(20)7-5-14(17)2/h4-7,10-11H,8-9,12,20H2,1-3H3,(H,21,22)
InChIKeyMIMYZYUHULERQI-UHFFFAOYSA-N
XLogP2.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
CID 119811646
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
CID 120647067
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
3-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-1,1,2-trimethylguanidine;hydroiodide
CID 75482656

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide (CID 120637316) is 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide is COCCOc1cc(C)ccc1CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide?
The InChIKey is MIMYZYUHULERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-4-6-15(18(10-13)24-9-8-23-3)12-21-19(22)17-11-16(20)7-5-14(17)2/h4-7,10-11H,8-9,12,20H2,1-3H3,(H,21,22).
What are the key properties of 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide?
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120637316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).