N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide

C21H25N3O4 — CID 108539279

IUPACN-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O4/c1-2-28-18-10-8-16(9-11-18)14-19(25)22-12-13-23-20(26)15-24-21(27)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyOIPAUOFJECATFS-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.29
Rot. Bonds10

About N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide

N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 108539279) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
PubChem CID108539279
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O4/c1-2-28-18-10-8-16(9-11-18)14-19(25)22-12-13-23-20(26)15-24-21(27)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyOIPAUOFJECATFS-UHFFFAOYSA-N
XLogP1.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120535479
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
4-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396160
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide (CID 108539279) is N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide is CCOc1ccc(CC(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is OIPAUOFJECATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-28-18-10-8-16(9-11-18)14-19(25)22-12-13-23-20(26)15-24-21(27)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108539279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).