3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide

C21H26N2O4 — CID 17197543

IUPAC3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCCOCCOc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-4-26-11-12-27-19-10-6-8-17(14-19)21(25)23-18-9-5-7-16(13-18)20(24)22-15(2)3/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUGDXOKJUIKTYNP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.49
Rot. Bonds9

About 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide

3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 17197543) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
PubChem CID17197543
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCCOCCOc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-4-26-11-12-27-19-10-6-8-17(14-19)21(25)23-18-9-5-7-16(13-18)20(24)22-15(2)3/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUGDXOKJUIKTYNP-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.49
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

N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide (CID 17197543) is 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide is CCOCCOc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is UGDXOKJUIKTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-26-11-12-27-19-10-6-8-17(14-19)21(25)23-18-9-5-7-16(13-18)20(24)22-15(2)3/h5-10,13-15H,4,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).