2-[ethyl(hexadecanoyl)amino]acetic acid

C20H39NO3 — CID 86170642

IUPAC2-[ethyl(hexadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21(4-2)18-20(23)24/h3-18H2,1-2H3,(H,23,24)
InChIKeyHVJTXIULSNGMHU-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.40
Rot. Bonds17

About 2-[ethyl(hexadecanoyl)amino]acetic acid

2-[ethyl(hexadecanoyl)amino]acetic acid (PubChem CID 86170642) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-[ethyl(hexadecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(hexadecanoyl)amino]acetic acid
PubChem CID86170642
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name2-[ethyl(hexadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21(4-2)18-20(23)24/h3-18H2,1-2H3,(H,23,24)
InChIKeyHVJTXIULSNGMHU-UHFFFAOYSA-N
XLogP5.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(hexadecanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(hexadecanoyl)amino]acetic acid (CID 86170642) is 2-[ethyl(hexadecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(hexadecanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(hexadecanoyl)amino]acetic acid is CCCCCCCCCCCCCCCC(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl(hexadecanoyl)amino]acetic acid?
The InChIKey is HVJTXIULSNGMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21(4-2)18-20(23)24/h3-18H2,1-2H3,(H,23,24).
What are the key properties of 2-[ethyl(hexadecanoyl)amino]acetic acid?
2-[ethyl(hexadecanoyl)amino]acetic acid has a molecular weight of 341.54 g/mol, XLogP of 5.40, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(hexadecanoyl)amino]acetic acid is sourced from PubChem (CID 86170642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).