N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide

C25H26N2O4 — CID 108538456

IUPACN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
SMILESCOc1ccc(CC(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-30-22-13-8-18(16-23(22)31-2)17-24(28)26-14-15-27-25(29)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLBFLSJMLCAAKME-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.46
Rot. Bonds9

About N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide

N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide (PubChem CID 108538456) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
PubChem CID108538456
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
SMILESCOc1ccc(CC(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-30-22-13-8-18(16-23(22)31-2)17-24(28)26-14-15-27-25(29)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLBFLSJMLCAAKME-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935130
N-[2-[[2-(3-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935128
N-[2-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111042731
N-[2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111213306
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide (CID 108538456) is N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide is COc1ccc(CC(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide?
The InChIKey is LBFLSJMLCAAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-30-22-13-8-18(16-23(22)31-2)17-24(28)26-14-15-27-25(29)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide?
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide has a molecular weight of 418.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 108538456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).