5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide

C19H24N2O3 — CID 120630633

IUPAC5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
SMILESCOc1ccc(COCCCNC(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-14-4-7-16(20)12-18(14)19(22)21-10-3-11-24-13-15-5-8-17(23-2)9-6-15/h4-9,12H,3,10-11,13,20H2,1-2H3,(H,21,22)
InChIKeyDNYVTJHVZNMQNJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.92
Rot. Bonds8

About 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide

5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide (PubChem CID 120630633) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
PubChem CID120630633
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
SMILESCOc1ccc(COCCCNC(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-14-4-7-16(20)12-18(14)19(22)21-10-3-11-24-13-15-5-8-17(23-2)9-6-15/h4-9,12H,3,10-11,13,20H2,1-2H3,(H,21,22)
InChIKeyDNYVTJHVZNMQNJ-UHFFFAOYSA-N
XLogP2.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.92
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'}

Analyze 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 84534524
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide (CID 120630633) is 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide is COc1ccc(COCCCNC(=O)c2cc(N)ccc2C)cc1.
What is the InChIKey of 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide?
The InChIKey is DNYVTJHVZNMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-4-7-16(20)12-18(14)19(22)21-10-3-11-24-13-15-5-8-17(23-2)9-6-15/h4-9,12H,3,10-11,13,20H2,1-2H3,(H,21,22).
What are the key properties of 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide?
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide is sourced from PubChem (CID 120630633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).