N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane

C18H33N3O3 — CID 90715248

IUPACN-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane
SMILESCC.CCOC.NC(=O)[C@@H](N)CCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H19N3O2.C3H8O.C2H6/c14-11(12(15)17)8-4-5-9-16-13(18)10-6-2-1-3-7-10;1-3-4-2;1-2/h1-3,6-7,11H,4-5,8-9,14H2,(H2,15,17)(H,16,18);3H2,1-2H3;1-2H3/t11-;;/m0../s1
InChIKeyRNNYPTGLRINEES-IDMXKUIJSA-N
MW339.48 g/mol
LogP2.08
Rot. Bonds8

About N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane

N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane (PubChem CID 90715248) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane.

Molecular Properties

Compound NameN-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane
PubChem CID90715248
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane
SMILESCC.CCOC.NC(=O)[C@@H](N)CCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H19N3O2.C3H8O.C2H6/c14-11(12(15)17)8-4-5-9-16-13(18)10-6-2-1-3-7-10;1-3-4-2;1-2/h1-3,6-7,11H,4-5,8-9,14H2,(H2,15,17)(H,16,18);3H2,1-2H3;1-2H3/t11-;;/m0../s1
InChIKeyRNNYPTGLRINEES-IDMXKUIJSA-N
XLogP2.08
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane 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

N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane
CID 91472308
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;1-methoxypropane;propane
CID 90749527
N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide
CID 143526103
6-benzamidohexan-2-yl benzoate
CID 67531968
N-(3,4-diaminodecyl)benzamide
CID 174528291
6-[(3-acetylbenzoyl)amino]-2-aminohexanoic acid
CID 76799570
methyl (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoate
CID 11061840
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
methyl 4-benzamidobutanoate
CID 13197711
(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 67015249
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide
CID 23400721

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane?
The IUPAC name of N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane (CID 90715248) is N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane.
What is the SMILES notation for N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane?
The canonical SMILES for N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane is CC.CCOC.NC(=O)[C@@H](N)CCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane?
The InChIKey is RNNYPTGLRINEES-IDMXKUIJSA-N. The full InChI is InChI=1S/C13H19N3O2.C3H8O.C2H6/c14-11(12(15)17)8-4-5-9-16-13(18)10-6-2-1-3-7-10;1-3-4-2;1-2/h1-3,6-7,11H,4-5,8-9,14H2,(H2,15,17)(H,16,18);3H2,1-2H3;1-2H3/t11-;;/m0../s1.
What are the key properties of N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane?
N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane has a molecular weight of 339.48 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane is sourced from PubChem (CID 90715248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).