4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C22H26N2O5 — CID 160826418

IUPAC4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESNCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1
InChIInChI=1S/C22H26N2O5/c23-15-21(27)19-3-1-2-18(14-19)20(26)9-6-16-4-7-17(8-5-16)22(28)24-10-12-29-13-11-25/h1-5,7-8,14,25H,6,9-13,15,23H2,(H,24,28)
InChIKeyRWBBYIUWWRMDNL-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.38
Rot. Bonds12

About 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide

4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 160826418) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID160826418
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESNCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1
InChIInChI=1S/C22H26N2O5/c23-15-21(27)19-3-1-2-18(14-19)20(26)9-6-16-4-7-17(8-5-16)22(28)24-10-12-29-13-11-25/h1-5,7-8,14,25H,6,9-13,15,23H2,(H,24,28)
InChIKeyRWBBYIUWWRMDNL-UHFFFAOYSA-N
XLogP1.38
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride
CID 160826417
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
4-(cyanomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 82178807
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
4-[3-[3-[2-[1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-[2-[1-[5-(4-tert-butylphenyl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-[2-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 158471484
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 160826418) is 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide is NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.
What is the InChIKey of 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is RWBBYIUWWRMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c23-15-21(27)19-3-1-2-18(14-19)20(26)9-6-16-4-7-17(8-5-16)22(28)24-10-12-29-13-11-25/h1-5,7-8,14,25H,6,9-13,15,23H2,(H,24,28).
What are the key properties of 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 1.38, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 160826418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).