(2R)-2-(phenacylamino)hexadecanoic acid

C24H39NO3 — CID 153409524

IUPAC(2R)-2-(phenacylamino)hexadecanoic acid
SMILESCCCCCCCCCCCCCC[C@@H](NCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24(27)28)25-20-23(26)21-17-14-13-15-18-21/h13-15,17-18,22,25H,2-12,16,19-20H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeyMQLJSYJQHJYXNC-JOCHJYFZSA-N
MW389.58 g/mol
LogP6.00
Rot. Bonds18

About (2R)-2-(phenacylamino)hexadecanoic acid

(2R)-2-(phenacylamino)hexadecanoic acid (PubChem CID 153409524) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is (2R)-2-(phenacylamino)hexadecanoic acid.

Molecular Properties

Compound Name(2R)-2-(phenacylamino)hexadecanoic acid
PubChem CID153409524
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name(2R)-2-(phenacylamino)hexadecanoic acid
SMILESCCCCCCCCCCCCCC[C@@H](NCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24(27)28)25-20-23(26)21-17-14-13-15-18-21/h13-15,17-18,22,25H,2-12,16,19-20H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeyMQLJSYJQHJYXNC-JOCHJYFZSA-N
XLogP6.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)nonanoic acid
CID 54889620
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
(2S)-4-methylsulfanyl-2-(phenacylamino)butanoic acid
CID 22811813
3-methoxy-2-(phenacylamino)propanoic acid
CID 22284590
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
3-amino-1-phenyloctadecan-1-one
CID 54040118
2-(hexylamino)-1-phenylethanone
CID 82101185
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
3-chloro-1-phenylnonan-1-one
CID 22934266
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-[[2-(3-aminophenyl)-2-oxoethyl]amino]pentanoic acid
CID 82258291

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenacylamino)hexadecanoic acid?
The IUPAC name of (2R)-2-(phenacylamino)hexadecanoic acid (CID 153409524) is (2R)-2-(phenacylamino)hexadecanoic acid.
What is the SMILES notation for (2R)-2-(phenacylamino)hexadecanoic acid?
The canonical SMILES for (2R)-2-(phenacylamino)hexadecanoic acid is CCCCCCCCCCCCCC[C@@H](NCC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(phenacylamino)hexadecanoic acid?
The InChIKey is MQLJSYJQHJYXNC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24(27)28)25-20-23(26)21-17-14-13-15-18-21/h13-15,17-18,22,25H,2-12,16,19-20H2,1H3,(H,27,28)/t22-/m1/s1.
What are the key properties of (2R)-2-(phenacylamino)hexadecanoic acid?
(2R)-2-(phenacylamino)hexadecanoic acid has a molecular weight of 389.58 g/mol, XLogP of 6.00, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenacylamino)hexadecanoic acid is sourced from PubChem (CID 153409524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).