N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

C24H25N3O4 — CID 54823116

IUPACN-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O4/c1-25-24(29)18-7-9-20(10-8-18)27-23(28)17-26-19-11-13-22(14-12-19)31-16-15-30-21-5-3-2-4-6-21/h2-14,26H,15-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyNNSOVIKBKKBWQH-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.55
Rot. Bonds10

About N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54823116) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54823116
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O4/c1-25-24(29)18-7-9-20(10-8-18)27-23(28)17-26-19-11-13-22(14-12-19)31-16-15-30-21-5-3-2-4-6-21/h2-14,26H,15-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyNNSOVIKBKKBWQH-UHFFFAOYSA-N
XLogP3.55
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (CID 54823116) is N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is NNSOVIKBKKBWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-25-24(29)18-7-9-20(10-8-18)27-23(28)17-26-19-11-13-22(14-12-19)31-16-15-30-21-5-3-2-4-6-21/h2-14,26H,15-17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54823116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).