N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide

C17H27NO3 — CID 84564095

IUPACN-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
SMILESCCCCCCC(=O)NCC(O)COc1ccccc1C
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-11-17(20)18-12-15(19)13-21-16-10-8-7-9-14(16)2/h7-10,15,19H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyOCEAMVTVHNGBGS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds10

About N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide

N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide (PubChem CID 84564095) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
PubChem CID84564095
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
SMILESCCCCCCC(=O)NCC(O)COc1ccccc1C
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-11-17(20)18-12-15(19)13-21-16-10-8-7-9-14(16)2/h7-10,15,19H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyOCEAMVTVHNGBGS-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-(4-methylphenyl)propanamide
CID 84568972
2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide
CID 84562879
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
CID 84564084
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide (CID 84564095) is N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide is CCCCCCC(=O)NCC(O)COc1ccccc1C.
What is the InChIKey of N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide?
The InChIKey is OCEAMVTVHNGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-4-5-6-11-17(20)18-12-15(19)13-21-16-10-8-7-9-14(16)2/h7-10,15,19H,3-6,11-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide?
N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide has a molecular weight of 293.41 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide is sourced from PubChem (CID 84564095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).