N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide

C22H30N2O3 — CID 54812359

IUPACN-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2ccc(OC)cc2)c1
InChIInChI=1S/C22H30N2O3/c1-3-4-5-6-7-15-27-21-10-8-9-19(16-21)24-22(25)17-23-18-11-13-20(26-2)14-12-18/h8-14,16,23H,3-7,15,17H2,1-2H3,(H,24,25)
InChIKeyJMIXKHSTNJISLW-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.09
Rot. Bonds12

About N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide

N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide (PubChem CID 54812359) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
PubChem CID54812359
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2ccc(OC)cc2)c1
InChIInChI=1S/C22H30N2O3/c1-3-4-5-6-7-15-27-21-10-8-9-19(16-21)24-22(25)17-23-18-11-13-20(26-2)14-12-18/h8-14,16,23H,3-7,15,17H2,1-2H3,(H,24,25)
InChIKeyJMIXKHSTNJISLW-UHFFFAOYSA-N
XLogP5.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide 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

N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide (CID 54812359) is N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide is CCCCCCCOc1cccc(NC(=O)CNc2ccc(OC)cc2)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide?
The InChIKey is JMIXKHSTNJISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-4-5-6-7-15-27-21-10-8-9-19(16-21)24-22(25)17-23-18-11-13-20(26-2)14-12-18/h8-14,16,23H,3-7,15,17H2,1-2H3,(H,24,25).
What are the key properties of N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide?
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide has a molecular weight of 370.49 g/mol, XLogP of 5.09, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 54812359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).