2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid

C15H21NO4 — CID 22256535

IUPAC2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
SMILESCCCCC(CN(C=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-2-3-9-14(15(18)19)10-16(12-17)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,18,19)
InChIKeyLJTYNLPHQVDDKN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds10

About 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid

2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid (PubChem CID 22256535) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
PubChem CID22256535
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
SMILESCCCCC(CN(C=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-2-3-9-14(15(18)19)10-16(12-17)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,18,19)
InChIKeyLJTYNLPHQVDDKN-UHFFFAOYSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
CID 19367512
formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 142022056
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59902207
2-[[formyl(phenylmethoxy)amino]methyl]-N-[1-(4-hydroxyphenyl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305304
2-benzyl-3-[formyl(phenylmethoxy)amino]propanoic acid;2-benzyl-4-phenylbutanoic acid;nitroxyl
CID 167543833
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide;(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 158362695
N-pentyl-N-phenylmethoxyformamide
CID 88956477
N-(3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 20752860
N-(3,3-dimethyl-1-oxo-1-pyridin-2-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 22733599
5-bromo-N-[[2-[[formyl(phenylmethoxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 118225866
(2R)-N-[(3S)-2,9-dioxo-1,8-diazacyclotetradec-3-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59032136

Frequently Asked Questions

What is the IUPAC name of 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
The IUPAC name of 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid (CID 22256535) is 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid.
What is the SMILES notation for 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
The canonical SMILES for 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid is CCCCC(CN(C=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
The InChIKey is LJTYNLPHQVDDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-3-9-14(15(18)19)10-16(12-17)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid?
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid is sourced from PubChem (CID 22256535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).