N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide

C16H24N4O5 — CID 71294542

IUPACN-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
SMILESCC[C@H](NC(C)=O)C(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H24N4O5/c1-3-12(17-11(2)21)16(25)19-18-13(22)7-5-4-6-10-20-14(23)8-9-15(20)24/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)(H,18,22)(H,19,25)/t12-/m0/s1
InChIKeyVIQGWLVQIIYBID-LBPRGKRZSA-N
MW352.39 g/mol
LogP-0.47
Rot. Bonds9

About N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide

N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide (PubChem CID 71294542) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
PubChem CID71294542
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC NameN-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
SMILESCC[C@H](NC(C)=O)C(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H24N4O5/c1-3-12(17-11(2)21)16(25)19-18-13(22)7-5-4-6-10-20-14(23)8-9-15(20)24/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)(H,18,22)(H,19,25)/t12-/m0/s1
InChIKeyVIQGWLVQIIYBID-LBPRGKRZSA-N
XLogP-0.47
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide (CID 71294542) is N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide is CC[C@H](NC(C)=O)C(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
The InChIKey is VIQGWLVQIIYBID-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-3-12(17-11(2)21)16(25)19-18-13(22)7-5-4-6-10-20-14(23)8-9-15(20)24/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)(H,18,22)(H,19,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of -0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 71294542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).