formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid

C16H25NO4 — CID 142022056

IUPACformaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid
SMILESC=O.CCCCC(CN(C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO3.CH2O/c1-3-4-10-14(15(17)18)11-16(2)19-12-13-8-6-5-7-9-13;1-2/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,18);1H2
InChIKeyHVPNRQLNPDPMIK-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.76
Rot. Bonds9

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

formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid (PubChem CID 142022056) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid.

Molecular Properties

Compound Nameformaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid
PubChem CID142022056
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameformaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid
SMILESC=O.CCCCC(CN(C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO3.CH2O/c1-3-4-10-14(15(17)18)11-16(2)19-12-13-8-6-5-7-9-13;1-2/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,18);1H2
InChIKeyHVPNRQLNPDPMIK-UHFFFAOYSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
benzyl 2-butylhexanoate
CID 175287311
benzyl N-phenylmethoxy-N-[2-(3-phenylpropyl)hexanoyl]carbamate
CID 151453047
benzyl 2-ethylhexanoate;hydrochloride
CID 141200166
(2S)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[hydroxy(phenylmethoxy)amino]methyl]hexanamide
CID 101132423
benzyl 2-decyldodecanoate
CID 129279401
4-phenylmethoxycarbonyloctanoic acid
CID 68803226
2-benzyldodecanoic acid
CID 14250629
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
2-[[methyl(2-methylprop-2-enoyl)amino]methyl]hexanoic acid
CID 91186254
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59902207
2-methyl-3-phenylmethoxycarbonylheptanoic acid
CID 140595868

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid?
The IUPAC name of formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid (CID 142022056) is formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid.
What is the SMILES notation for formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid?
The canonical SMILES for formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid is C=O.CCCCC(CN(C)OCc1ccccc1)C(=O)O.
What is the InChIKey of formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid?
The InChIKey is HVPNRQLNPDPMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.CH2O/c1-3-4-10-14(15(17)18)11-16(2)19-12-13-8-6-5-7-9-13;1-2/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,18);1H2.
What are the key properties of formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid?
formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-[[methyl(phenylmethoxy)amino]methyl]hexanoic acid is sourced from PubChem (CID 142022056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).