N-phenylmethoxyhexanamide

C13H19NO2 — CID 60717350

IUPACN-phenylmethoxyhexanamide
SMILESCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-5-10-13(15)14-16-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H,14,15)
InChIKeyXWZWYZBQIJMERQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.81
Rot. Bonds7

About N-phenylmethoxyhexanamide

N-phenylmethoxyhexanamide (PubChem CID 60717350) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-phenylmethoxyhexanamide.

Molecular Properties

Compound NameN-phenylmethoxyhexanamide
PubChem CID60717350
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-phenylmethoxyhexanamide
SMILESCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-5-10-13(15)14-16-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H,14,15)
InChIKeyXWZWYZBQIJMERQ-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
7-amino-N-phenylmethoxyheptanamide
CID 59535540
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547
[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
CID 59535539
N-(3-phenylpropoxy)heptanamide
CID 139933276
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
CID 59535535
chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 59535491
4-amino-N-phenylmethoxypentanamide
CID 64974762
benzyl heptadecanoate
CID 522569
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyhexanamide?
The IUPAC name of N-phenylmethoxyhexanamide (CID 60717350) is N-phenylmethoxyhexanamide.
What is the SMILES notation for N-phenylmethoxyhexanamide?
The canonical SMILES for N-phenylmethoxyhexanamide is CCCCCC(=O)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxyhexanamide?
The InChIKey is XWZWYZBQIJMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-5-10-13(15)14-16-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H,14,15).
What are the key properties of N-phenylmethoxyhexanamide?
N-phenylmethoxyhexanamide has a molecular weight of 221.30 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyhexanamide is sourced from PubChem (CID 60717350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).