N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide

C22H46N4O2 — CID 58260252

IUPACN-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
SMILESCCCC(=O)NCCCC[C@H](N)C(=O)CCCCCCCCCNCCCN
InChIInChI=1S/C22H46N4O2/c1-2-13-22(28)26-19-11-9-14-20(24)21(27)15-8-6-4-3-5-7-10-17-25-18-12-16-23/h20,25H,2-19,23-24H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyOTNYOCJKJKKAFF-FQEVSTJZSA-N
MW398.64 g/mol
LogP3.03
Rot. Bonds21

About N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide

N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide (PubChem CID 58260252) has the molecular formula C22H46N4O2 and a molecular weight of 398.64 g/mol. Its IUPAC name is N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide.

Molecular Properties

Compound NameN-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
PubChem CID58260252
Molecular FormulaC22H46N4O2
Molecular Weight398.64 g/mol
Exact Mass398.36
IUPAC NameN-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
SMILESCCCC(=O)NCCCC[C@H](N)C(=O)CCCCCCCCCNCCCN
InChIInChI=1S/C22H46N4O2/c1-2-13-22(28)26-19-11-9-14-20(24)21(27)15-8-6-4-3-5-7-10-17-25-18-12-16-23/h20,25H,2-19,23-24H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyOTNYOCJKJKKAFF-FQEVSTJZSA-N
XLogP3.03
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.64
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
CID 58260284
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
CID 59104625
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
N-[(5S)-5-amino-6-[3-[4-(butylamino)butylamino]propylamino]-6-oxohexyl]octanamide
CID 159397437
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
CID 58260226
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2S)-2-amino-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide?
The IUPAC name of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide (CID 58260252) is N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide.
What is the SMILES notation for N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide?
The canonical SMILES for N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide is CCCC(=O)NCCCC[C@H](N)C(=O)CCCCCCCCCNCCCN.
What is the InChIKey of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide?
The InChIKey is OTNYOCJKJKKAFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H46N4O2/c1-2-13-22(28)26-19-11-9-14-20(24)21(27)15-8-6-4-3-5-7-10-17-25-18-12-16-23/h20,25H,2-19,23-24H2,1H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide?
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide has a molecular weight of 398.64 g/mol, XLogP of 3.03, 21 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide is sourced from PubChem (CID 58260252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).