[(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate

C30H59NO3 — CID 175730370

IUPAC[(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)[C@@H](CC)C(N)=O
InChIInChI=1S/C30H59NO3/c1-4-7-9-11-13-15-16-18-20-22-24-26-29(32)34-28(27(6-3)30(31)33)25-23-21-19-17-14-12-10-8-5-2/h27-28H,4-26H2,1-3H3,(H2,31,33)/t27-,28?/m1/s1
InChIKeyMPAULSJIDOPOPM-QXPUDEPPSA-N
MW481.81 g/mol
LogP9.03
Rot. Bonds26

About [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate

[(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate (PubChem CID 175730370) has the molecular formula C30H59NO3 and a molecular weight of 481.81 g/mol. Its IUPAC name is [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate.

Molecular Properties

Compound Name[(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate
PubChem CID175730370
Molecular FormulaC30H59NO3
Molecular Weight481.81 g/mol
Exact Mass481.45
IUPAC Name[(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)[C@@H](CC)C(N)=O
InChIInChI=1S/C30H59NO3/c1-4-7-9-11-13-15-16-18-20-22-24-26-29(32)34-28(27(6-3)30(31)33)25-23-21-19-17-14-12-10-8-5-2/h27-28H,4-26H2,1-3H3,(H2,31,33)/t27-,28?/m1/s1
InChIKeyMPAULSJIDOPOPM-QXPUDEPPSA-N
XLogP9.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9,10-di(undecanoyloxy)octadecyl undecanoate
CID 91163817
15-hydroxyoctacosan-14-yl docosanoate
CID 150070052
5-decanoyloxyoctan-4-yl decanoate
CID 140526612
1,2-dihydroxyundecan-3-yl docosanoate
CID 54038505
1-octadecanoyloxyoctyl octadecanoate
CID 140629653
1-icosanoyloxydodecyl icosanoate
CID 121388091
1-pentadecanoyloxyoctyl pentadecanoate
CID 140629767
1-tridecanoyloxyoctyl tridecanoate
CID 121387970
1-icosanoyloxyoctyl icosanoate
CID 140629763
1-dodecanoyloxyoctyl dodecanoate
CID 140629725
6-(7-hexylhexadecan-8-yloxy)-6-oxohexanoic acid
CID 175332493
dodecan-3-yl pentadecanoate
CID 54131907

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate?
The IUPAC name of [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate (CID 175730370) is [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate.
What is the SMILES notation for [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate?
The canonical SMILES for [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)[C@@H](CC)C(N)=O.
What is the InChIKey of [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate?
The InChIKey is MPAULSJIDOPOPM-QXPUDEPPSA-N. The full InChI is InChI=1S/C30H59NO3/c1-4-7-9-11-13-15-16-18-20-22-24-26-29(32)34-28(27(6-3)30(31)33)25-23-21-19-17-14-12-10-8-5-2/h27-28H,4-26H2,1-3H3,(H2,31,33)/t27-,28?/m1/s1.
What are the key properties of [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate?
[(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate has a molecular weight of 481.81 g/mol, XLogP of 9.03, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-carbamoylpentadecan-4-yl] tetradecanoate is sourced from PubChem (CID 175730370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).