N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide

C21H28N2O5 — CID 15174918

IUPACN-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C21H28N2O5/c1-2-23-21(25)16-28-20-10-8-19(9-11-20)26-13-12-22-14-17(24)15-27-18-6-4-3-5-7-18/h3-11,17,22,24H,2,12-16H2,1H3,(H,23,25)
InChIKeyQNXKAIHDIFRTMB-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.61
Rot. Bonds13

About N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide

N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide (PubChem CID 15174918) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
PubChem CID15174918
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C21H28N2O5/c1-2-23-21(25)16-28-20-10-8-19(9-11-20)26-13-12-22-14-17(24)15-27-18-6-4-3-5-7-18/h3-11,17,22,24H,2,12-16H2,1H3,(H,23,25)
InChIKeyQNXKAIHDIFRTMB-UHFFFAOYSA-N
XLogP1.61
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.61
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

methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide
CID 23127035
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide (CID 15174918) is N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide is CCNC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1.
What is the InChIKey of N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
The InChIKey is QNXKAIHDIFRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-2-23-21(25)16-28-20-10-8-19(9-11-20)26-13-12-22-14-17(24)15-27-18-6-4-3-5-7-18/h3-11,17,22,24H,2,12-16H2,1H3,(H,23,25).
What are the key properties of N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide has a molecular weight of 388.46 g/mol, XLogP of 1.61, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide is sourced from PubChem (CID 15174918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).