5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide

C23H32N2O4 — CID 21488926

IUPAC5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1ccc(C(O)CNC(C)CCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C23H32N2O4/c1-17(9-10-18-7-4-3-5-8-18)25-16-21(26)19-11-12-22(20(15-19)23(24)27)29-14-6-13-28-2/h3-5,7-8,11-12,15,17,21,25-26H,6,9-10,13-14,16H2,1-2H3,(H2,24,27)
InChIKeyCWVZRVDKAWITCC-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.85
Rot. Bonds13

About 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide

5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide (PubChem CID 21488926) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide.

Molecular Properties

Compound Name5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
PubChem CID21488926
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1ccc(C(O)CNC(C)CCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C23H32N2O4/c1-17(9-10-18-7-4-3-5-8-18)25-16-21(26)19-11-12-22(20(15-19)23(24)27)29-14-6-13-28-2/h3-5,7-8,11-12,15,17,21,25-26H,6,9-10,13-14,16H2,1-2H3,(H2,24,27)
InChIKeyCWVZRVDKAWITCC-UHFFFAOYSA-N
XLogP2.85
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide 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

2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
CID 21488915
2-(2,3-dihydroxypropoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 21488921
5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide
CID 21488897
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide
CID 21488920
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide
CID 54498554
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 70386564
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
CID 54443827

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide?
The IUPAC name of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide (CID 21488926) is 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide.
What is the SMILES notation for 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide?
The canonical SMILES for 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide is COCCCOc1ccc(C(O)CNC(C)CCc2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide?
The InChIKey is CWVZRVDKAWITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-17(9-10-18-7-4-3-5-8-18)25-16-21(26)19-11-12-22(20(15-19)23(24)27)29-14-6-13-28-2/h3-5,7-8,11-12,15,17,21,25-26H,6,9-10,13-14,16H2,1-2H3,(H2,24,27).
What are the key properties of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide?
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide has a molecular weight of 400.52 g/mol, XLogP of 2.85, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide is sourced from PubChem (CID 21488926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).