N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide

C16H28N4O4 — CID 165361548

IUPACN-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide
SMILESO=CNCCCCCCN1C(=O)N(CCCCCCNC=O)C1=O
InChIInChI=1S/C16H28N4O4/c21-13-17-9-5-1-3-7-11-19-15(23)20(16(19)24)12-8-4-2-6-10-18-14-22/h13-14H,1-12H2,(H,17,21)(H,18,22)
InChIKeyMUQOJDAURPYOQN-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.46
Rot. Bonds16

About N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide

N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide (PubChem CID 165361548) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide.

Molecular Properties

Compound NameN-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide
PubChem CID165361548
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide
SMILESO=CNCCCCCCN1C(=O)N(CCCCCCNC=O)C1=O
InChIInChI=1S/C16H28N4O4/c21-13-17-9-5-1-3-7-11-19-15(23)20(16(19)24)12-8-4-2-6-10-18-14-22/h13-14H,1-12H2,(H,17,21)(H,18,22)
InChIKeyMUQOJDAURPYOQN-UHFFFAOYSA-N
XLogP1.46
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide?
The IUPAC name of N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide (CID 165361548) is N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide.
What is the SMILES notation for N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide?
The canonical SMILES for N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide is O=CNCCCCCCN1C(=O)N(CCCCCCNC=O)C1=O.
What is the InChIKey of N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide?
The InChIKey is MUQOJDAURPYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c21-13-17-9-5-1-3-7-11-19-15(23)20(16(19)24)12-8-4-2-6-10-18-14-22/h13-14H,1-12H2,(H,17,21)(H,18,22).
What are the key properties of N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide?
N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide has a molecular weight of 340.42 g/mol, XLogP of 1.46, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide is sourced from PubChem (CID 165361548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).