2-(dodecanoylamino)propanoyl chloride

C15H28ClNO2 — CID 146268547

IUPAC2-(dodecanoylamino)propanoyl chloride
SMILESCCCCCCCCCCCC(=O)NC(C)C(=O)Cl
InChIInChI=1S/C15H28ClNO2/c1-3-4-5-6-7-8-9-10-11-12-14(18)17-13(2)15(16)19/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyCOTWLBSBHYXSSA-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.18
Rot. Bonds12

About 2-(dodecanoylamino)propanoyl chloride

2-(dodecanoylamino)propanoyl chloride (PubChem CID 146268547) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-(dodecanoylamino)propanoyl chloride.

Molecular Properties

Compound Name2-(dodecanoylamino)propanoyl chloride
PubChem CID146268547
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC Name2-(dodecanoylamino)propanoyl chloride
SMILESCCCCCCCCCCCC(=O)NC(C)C(=O)Cl
InChIInChI=1S/C15H28ClNO2/c1-3-4-5-6-7-8-9-10-11-12-14(18)17-13(2)15(16)19/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyCOTWLBSBHYXSSA-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
2-(hexanoylamino)propanoic acid
CID 2828500
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-pentan-2-ylundecanamide
CID 173258559
propan-2-yl 2-(dodecanoylamino)propanoate
CID 18625142
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
2-aminopropanoic acid;2-(hexadecanoylamino)propanoic acid;hexadecanoyl chloride;methane
CID 159645214

Frequently Asked Questions

What is the IUPAC name of 2-(dodecanoylamino)propanoyl chloride?
The IUPAC name of 2-(dodecanoylamino)propanoyl chloride (CID 146268547) is 2-(dodecanoylamino)propanoyl chloride.
What is the SMILES notation for 2-(dodecanoylamino)propanoyl chloride?
The canonical SMILES for 2-(dodecanoylamino)propanoyl chloride is CCCCCCCCCCCC(=O)NC(C)C(=O)Cl.
What is the InChIKey of 2-(dodecanoylamino)propanoyl chloride?
The InChIKey is COTWLBSBHYXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO2/c1-3-4-5-6-7-8-9-10-11-12-14(18)17-13(2)15(16)19/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 2-(dodecanoylamino)propanoyl chloride?
2-(dodecanoylamino)propanoyl chloride has a molecular weight of 289.85 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecanoylamino)propanoyl chloride is sourced from PubChem (CID 146268547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).