N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide

C17H34N2O4 — CID 139696676

IUPACN-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)NCOC
InChIInChI=1S/C17H34N2O4/c1-3-4-5-6-7-8-9-10-11-12-16(21)19-15(13-20)17(22)18-14-23-2/h15,20H,3-14H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyWQEBMYDTUJIOTR-HNNXBMFYSA-N
MW330.47 g/mol
LogP2.10
Rot. Bonds15

About N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide

N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide (PubChem CID 139696676) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide
PubChem CID139696676
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC NameN-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)NCOC
InChIInChI=1S/C17H34N2O4/c1-3-4-5-6-7-8-9-10-11-12-16(21)19-15(13-20)17(22)18-14-23-2/h15,20H,3-14H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyWQEBMYDTUJIOTR-HNNXBMFYSA-N
XLogP2.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)hexadecanamide
CID 59805196
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
3-methoxy-2-(octanoylamino)propanoic acid
CID 81077297
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
N-[(2R)-1-(octylamino)-1-oxo-3-sulfanylpropan-2-yl]hexadecanamide
CID 155935614
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
N-[3-amino-1-(hexylamino)-1-oxopropan-2-yl]heptanamide
CID 167356517
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
[(3R)-1-[[(2S)-2-amino-3-hydroxypropanoyl]amino]decan-3-yl] dodecanoate;[(3R)-1-[[(2S)-3-hydroxy-2-(tetradecanoylamino)propanoyl]amino]decan-3-yl] dodecanoate
CID 161300221
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide (CID 139696676) is N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)NCOC.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide?
The InChIKey is WQEBMYDTUJIOTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-3-4-5-6-7-8-9-10-11-12-16(21)19-15(13-20)17(22)18-14-23-2/h15,20H,3-14H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide?
N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide has a molecular weight of 330.47 g/mol, XLogP of 2.10, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(methoxymethylamino)-1-oxopropan-2-yl]dodecanamide is sourced from PubChem (CID 139696676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).