N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide

C21H24N2O4 — CID 134046513

IUPACN-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-27-18-10-8-16(9-11-18)19(24)12-13-20(25)22-14-15-23-21(26)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyUKSSBXZSGOFXAV-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.59
Rot. Bonds10

About N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide

N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide (PubChem CID 134046513) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
PubChem CID134046513
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-27-18-10-8-16(9-11-18)19(24)12-13-20(25)22-14-15-23-21(26)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyUKSSBXZSGOFXAV-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.59
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

4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
4-(4-ethoxyphenyl)-4-oxo-N-(3-phenylprop-2-ynyl)butanamide
CID 51332500
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
4-(4-ethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]-4-oxobutanamide
CID 26420439
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877
(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate
CID 42965639

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide (CID 134046513) is N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide is CCOc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
The InChIKey is UKSSBXZSGOFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-27-18-10-8-16(9-11-18)19(24)12-13-20(25)22-14-15-23-21(26)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide is sourced from PubChem (CID 134046513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).