N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide

C22H22N2O3 — CID 112987443

IUPACN-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
SMILESCOc1cccc(Nc2ccc(NC(=O)CCOc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O3/c1-26-21-9-5-6-19(16-21)23-17-10-12-18(13-11-17)24-22(25)14-15-27-20-7-3-2-4-8-20/h2-13,16,23H,14-15H2,1H3,(H,24,25)
InChIKeyKKGQSOVBPOULIS-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.85
Rot. Bonds8

About N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide

N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide (PubChem CID 112987443) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
PubChem CID112987443
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
SMILESCOc1cccc(Nc2ccc(NC(=O)CCOc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O3/c1-26-21-9-5-6-19(16-21)23-17-10-12-18(13-11-17)24-22(25)14-15-27-20-7-3-2-4-8-20/h2-13,16,23H,14-15H2,1H3,(H,24,25)
InChIKeyKKGQSOVBPOULIS-UHFFFAOYSA-N
XLogP4.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide 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-[4-(3-chloro-4-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987213
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-[4-(3-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987456
N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide
CID 112990218
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987250
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide (CID 112987443) is N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide is COc1cccc(Nc2ccc(NC(=O)CCOc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide?
The InChIKey is KKGQSOVBPOULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-21-9-5-6-19(16-21)23-17-10-12-18(13-11-17)24-22(25)14-15-27-20-7-3-2-4-8-20/h2-13,16,23H,14-15H2,1H3,(H,24,25).
What are the key properties of N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide?
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide has a molecular weight of 362.43 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 112987443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).