(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide

C27H53N3O3 — CID 159201079

IUPAC(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)CN(C)C(=O)[C@@H](CCCN)NC(C)=O
InChIInChI=1S/C27H53N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(32)23-30(3)27(33)26(21-19-22-28)29-24(2)31/h26H,4-23,28H2,1-3H3,(H,29,31)/t26-/m1/s1
InChIKeySIJUVZYWWPOXIC-AREMUKBSSA-N
MW467.74 g/mol
LogP5.52
Rot. Bonds23

About (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide

(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide (PubChem CID 159201079) has the molecular formula C27H53N3O3 and a molecular weight of 467.74 g/mol. Its IUPAC name is (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide
PubChem CID159201079
Molecular FormulaC27H53N3O3
Molecular Weight467.74 g/mol
Exact Mass467.41
IUPAC Name(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)CN(C)C(=O)[C@@H](CCCN)NC(C)=O
InChIInChI=1S/C27H53N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(32)23-30(3)27(33)26(21-19-22-28)29-24(2)31/h26H,4-23,28H2,1-3H3,(H,29,31)/t26-/m1/s1
InChIKeySIJUVZYWWPOXIC-AREMUKBSSA-N
XLogP5.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
CID 153239973
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
methyl 2-acetamidooctanoate
CID 6429509
2-acetamidotetracosanoic acid
CID 13224380
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
butyl 2-acetamido-6-aminohexanoate
CID 527831
(Z)-1-[3-aminopropyl(methyl)amino]nonadec-10-en-2-one
CID 174367740
N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
CID 121336815
(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 159030403
phosphanyl 2-acetamidooctanoate
CID 174816873
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide?
The IUPAC name of (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide (CID 159201079) is (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide.
What is the SMILES notation for (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide?
The canonical SMILES for (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide is CCCCCCCCCCCCCCCCCC(=O)CN(C)C(=O)[C@@H](CCCN)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide?
The InChIKey is SIJUVZYWWPOXIC-AREMUKBSSA-N. The full InChI is InChI=1S/C27H53N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(32)23-30(3)27(33)26(21-19-22-28)29-24(2)31/h26H,4-23,28H2,1-3H3,(H,29,31)/t26-/m1/s1.
What are the key properties of (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide?
(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide has a molecular weight of 467.74 g/mol, XLogP of 5.52, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide is sourced from PubChem (CID 159201079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).