amino 5-(dodecanoylamino)-2,2-dimethylpentanoate

C19H38N2O3 — CID 88803233

IUPACamino 5-(dodecanoylamino)-2,2-dimethylpentanoate
SMILESCCCCCCCCCCCC(=O)NCCCC(C)(C)C(=O)ON
InChIInChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-17(22)21-16-13-15-19(2,3)18(23)24-20/h4-16,20H2,1-3H3,(H,21,22)
InChIKeyRFLBALSHVVMGDZ-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.25
Rot. Bonds15

About amino 5-(dodecanoylamino)-2,2-dimethylpentanoate

amino 5-(dodecanoylamino)-2,2-dimethylpentanoate (PubChem CID 88803233) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is amino 5-(dodecanoylamino)-2,2-dimethylpentanoate.

Molecular Properties

Compound Nameamino 5-(dodecanoylamino)-2,2-dimethylpentanoate
PubChem CID88803233
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Nameamino 5-(dodecanoylamino)-2,2-dimethylpentanoate
SMILESCCCCCCCCCCCC(=O)NCCCC(C)(C)C(=O)ON
InChIInChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-17(22)21-16-13-15-19(2,3)18(23)24-20/h4-16,20H2,1-3H3,(H,21,22)
InChIKeyRFLBALSHVVMGDZ-UHFFFAOYSA-N
XLogP4.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(octadecanoylamino)propyl 2,2-dimethylhexadecanoate;hydrochloride
CID 146278354
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-nonyltridecanamide
CID 154228217
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of amino 5-(dodecanoylamino)-2,2-dimethylpentanoate?
The IUPAC name of amino 5-(dodecanoylamino)-2,2-dimethylpentanoate (CID 88803233) is amino 5-(dodecanoylamino)-2,2-dimethylpentanoate.
What is the SMILES notation for amino 5-(dodecanoylamino)-2,2-dimethylpentanoate?
The canonical SMILES for amino 5-(dodecanoylamino)-2,2-dimethylpentanoate is CCCCCCCCCCCC(=O)NCCCC(C)(C)C(=O)ON.
What is the InChIKey of amino 5-(dodecanoylamino)-2,2-dimethylpentanoate?
The InChIKey is RFLBALSHVVMGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-17(22)21-16-13-15-19(2,3)18(23)24-20/h4-16,20H2,1-3H3,(H,21,22).
What are the key properties of amino 5-(dodecanoylamino)-2,2-dimethylpentanoate?
amino 5-(dodecanoylamino)-2,2-dimethylpentanoate has a molecular weight of 342.52 g/mol, XLogP of 4.25, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5-(dodecanoylamino)-2,2-dimethylpentanoate is sourced from PubChem (CID 88803233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).