(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide

C19H40N2O3 — CID 98397407

IUPAC(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide
SMILESCCCCCCCCCCCC(=O)NC[C@@H](O)C[N+]([O-])(CC)CC
InChIInChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-13-14-15-19(23)20-16-18(22)17-21(24,5-2)6-3/h18,22H,4-17H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyOVWIBDGEEJITLV-GOSISDBHSA-N
MW344.54 g/mol
LogP3.74
Rot. Bonds16

About (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide

(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide (PubChem CID 98397407) has the molecular formula C19H40N2O3 and a molecular weight of 344.54 g/mol. Its IUPAC name is (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide.

Molecular Properties

Compound Name(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide
PubChem CID98397407
Molecular FormulaC19H40N2O3
Molecular Weight344.54 g/mol
Exact Mass344.30
IUPAC Name(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide
SMILESCCCCCCCCCCCC(=O)NC[C@@H](O)C[N+]([O-])(CC)CC
InChIInChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-13-14-15-19(23)20-16-18(22)17-21(24,5-2)6-3/h18,22H,4-17H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyOVWIBDGEEJITLV-GOSISDBHSA-N
XLogP3.74
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
4-(decanoylamino)-3-hydroxybutanoic acid
CID 23163718
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
N-(2-hydroxypentyl)pentanamide
CID 115700612
[16-[[2-hydroxy-3-(octanoylamino)propyl]amino]-16-oxohexadecyl] octanoate
CID 153483284
[10-[[3-(decanoylamino)-2-hydroxypropyl]amino]-10-oxodecyl] hexadecanoate
CID 147853760
acetamide;acetylene;N-(2-hydroxypentyl)octanamide
CID 162387958
N-(2-aminopropyl)octadecanamide
CID 86003506
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide?
The IUPAC name of (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide (CID 98397407) is (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide.
What is the SMILES notation for (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide?
The canonical SMILES for (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide is CCCCCCCCCCCC(=O)NC[C@@H](O)C[N+]([O-])(CC)CC.
What is the InChIKey of (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide?
The InChIKey is OVWIBDGEEJITLV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H40N2O3/c1-4-7-8-9-10-11-12-13-14-15-19(23)20-16-18(22)17-21(24,5-2)6-3/h18,22H,4-17H2,1-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide?
(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide has a molecular weight of 344.54 g/mol, XLogP of 3.74, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide is sourced from PubChem (CID 98397407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).