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

C25H36N2O4 — CID 23127035

IUPACN-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide
SMILESCCCCCCNC(=O)COc1ccc(CCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C25H36N2O4/c1-2-3-4-8-16-27-25(29)20-31-24-13-11-21(12-14-24)15-17-26-18-22(28)19-30-23-9-6-5-7-10-23/h5-7,9-14,22,26,28H,2-4,8,15-20H2,1H3,(H,27,29)
InChIKeyZEUWGXJAYXAEKZ-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.33
Rot. Bonds16

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

N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide (PubChem CID 23127035) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide
PubChem CID23127035
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC NameN-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide
SMILESCCCCCCNC(=O)COc1ccc(CCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C25H36N2O4/c1-2-3-4-8-16-27-25(29)20-31-24-13-11-21(12-14-24)15-17-26-18-22(28)19-30-23-9-6-5-7-10-23/h5-7,9-14,22,26,28H,2-4,8,15-20H2,1H3,(H,27,29)
InChIKeyZEUWGXJAYXAEKZ-UHFFFAOYSA-N
XLogP3.33
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
(2S)-1-(4-hexoxyphenoxy)-3-[2-(4-methoxyphenyl)ethylamino]propan-2-ol
CID 10201083
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
4-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]-N-octylpiperidine-1-carboxamide
CID 18173860
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
(2S)-1-(hexylamino)-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 2089097
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022
2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]-1-morpholin-4-ylethanone
CID 67826771

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide?
The IUPAC name of N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide (CID 23127035) is N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide.
What is the SMILES notation for N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide?
The canonical SMILES for N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide is CCCCCCNC(=O)COc1ccc(CCNCC(O)COc2ccccc2)cc1.
What is the InChIKey of N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide?
The InChIKey is ZEUWGXJAYXAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-2-3-4-8-16-27-25(29)20-31-24-13-11-21(12-14-24)15-17-26-18-22(28)19-30-23-9-6-5-7-10-23/h5-7,9-14,22,26,28H,2-4,8,15-20H2,1H3,(H,27,29).
What are the key properties of N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide?
N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide has a molecular weight of 428.57 g/mol, XLogP of 3.33, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 23127035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).