N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide

C21H26N2O5 — CID 100636227

IUPACN-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCCCOc1cc(O)ccc1NC(=O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H26N2O5/c1-4-11-27-19-12-16(24)7-10-18(19)23-20(25)13-22-21(26)15-5-8-17(9-6-15)28-14(2)3/h5-10,12,14,24H,4,11,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZWQFNWWJEMWJDC-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.34
Rot. Bonds9

About N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide

N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide (PubChem CID 100636227) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide
PubChem CID100636227
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCCCOc1cc(O)ccc1NC(=O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H26N2O5/c1-4-11-27-19-12-16(24)7-10-18(19)23-20(25)13-22-21(26)15-5-8-17(9-6-15)28-14(2)3/h5-10,12,14,24H,4,11,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZWQFNWWJEMWJDC-UHFFFAOYSA-N
XLogP3.34
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42965917
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 43050302
methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate
CID 82350124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide (CID 100636227) is N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide is CCCOc1cc(O)ccc1NC(=O)CNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
The InChIKey is ZWQFNWWJEMWJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-11-27-19-12-16(24)7-10-18(19)23-20(25)13-22-21(26)15-5-8-17(9-6-15)28-14(2)3/h5-10,12,14,24H,4,11,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide?
N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-2-propoxyanilino)-2-oxoethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 100636227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).