propan-2-yl 2-(dodecanoylamino)propanoate

C18H35NO3 — CID 18625142

IUPACpropan-2-yl 2-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NC(C)C(=O)OC(C)C
InChIInChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19-16(4)18(21)22-15(2)3/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKeyJYQNABDRUZPTDA-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.36
Rot. Bonds13

About propan-2-yl 2-(dodecanoylamino)propanoate

propan-2-yl 2-(dodecanoylamino)propanoate (PubChem CID 18625142) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is propan-2-yl 2-(dodecanoylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(dodecanoylamino)propanoate
PubChem CID18625142
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Namepropan-2-yl 2-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NC(C)C(=O)OC(C)C
InChIInChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19-16(4)18(21)22-15(2)3/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKeyJYQNABDRUZPTDA-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.36
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

1-chloropentyl (2S)-2-(dodecanoylamino)propanoate
CID 175008966
methyl (2S)-2-(7-oxododecanoylamino)propanoate
CID 54049046
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296
hexyl 2-(pentanoylamino)propanoate
CID 6420522
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
methyl 2-(pentanoylamino)propanoate
CID 541659
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
20-hydroxyicosyl (2S)-2-(dodecanoylamino)propanoate
CID 175557288
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
pentyl 2-(pentanoylamino)propanoate
CID 6420533
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(dodecanoylamino)propanoate?
The IUPAC name of propan-2-yl 2-(dodecanoylamino)propanoate (CID 18625142) is propan-2-yl 2-(dodecanoylamino)propanoate.
What is the SMILES notation for propan-2-yl 2-(dodecanoylamino)propanoate?
The canonical SMILES for propan-2-yl 2-(dodecanoylamino)propanoate is CCCCCCCCCCCC(=O)NC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(dodecanoylamino)propanoate?
The InChIKey is JYQNABDRUZPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19-16(4)18(21)22-15(2)3/h15-16H,5-14H2,1-4H3,(H,19,20).
What are the key properties of propan-2-yl 2-(dodecanoylamino)propanoate?
propan-2-yl 2-(dodecanoylamino)propanoate has a molecular weight of 313.48 g/mol, XLogP of 4.36, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(dodecanoylamino)propanoate is sourced from PubChem (CID 18625142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).