N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide

C16H33N3O2S2 — CID 172594400

IUPACN-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide
SMILESCCN(C)CCC(=O)NCCSSCCNC(=O)CCC(C)C
InChIInChI=1S/C16H33N3O2S2/c1-5-19(4)11-8-16(21)18-10-13-23-22-12-9-17-15(20)7-6-14(2)3/h14H,5-13H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyMPAMSIUORJSETA-UHFFFAOYSA-N
MW363.59 g/mol
LogP2.38
Rot. Bonds14

About N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide

N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide (PubChem CID 172594400) has the molecular formula C16H33N3O2S2 and a molecular weight of 363.59 g/mol. Its IUPAC name is N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide
PubChem CID172594400
Molecular FormulaC16H33N3O2S2
Molecular Weight363.59 g/mol
Exact Mass363.20
IUPAC NameN-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide
SMILESCCN(C)CCC(=O)NCCSSCCNC(=O)CCC(C)C
InChIInChI=1S/C16H33N3O2S2/c1-5-19(4)11-8-16(21)18-10-13-23-22-12-9-17-15(20)7-6-14(2)3/h14H,5-13H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyMPAMSIUORJSETA-UHFFFAOYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 113116187
4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide
CID 165399204
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)butanamide
CID 62641683
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide (CID 172594400) is N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide is CCN(C)CCC(=O)NCCSSCCNC(=O)CCC(C)C.
What is the InChIKey of N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide?
The InChIKey is MPAMSIUORJSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S2/c1-5-19(4)11-8-16(21)18-10-13-23-22-12-9-17-15(20)7-6-14(2)3/h14H,5-13H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide?
N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide has a molecular weight of 363.59 g/mol, XLogP of 2.38, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide is sourced from PubChem (CID 172594400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).