N-(1,7,7-triformamidoheptyl)formamide

C11H20N4O4 — CID 87649718

IUPACN-(1,7,7-triformamidoheptyl)formamide
SMILESO=CNC(CCCCCC(NC=O)NC=O)NC=O
InChIInChI=1S/C11H20N4O4/c16-6-12-10(13-7-17)4-2-1-3-5-11(14-8-18)15-9-19/h6-11H,1-5H2,(H,12,16)(H,13,17)(H,14,18)(H,15,19)
InChIKeyCALBPWXKYGBQOZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.43
Rot. Bonds14

About N-(1,7,7-triformamidoheptyl)formamide

N-(1,7,7-triformamidoheptyl)formamide (PubChem CID 87649718) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,7,7-triformamidoheptyl)formamide.

Molecular Properties

Compound NameN-(1,7,7-triformamidoheptyl)formamide
PubChem CID87649718
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC NameN-(1,7,7-triformamidoheptyl)formamide
SMILESO=CNC(CCCCCC(NC=O)NC=O)NC=O
InChIInChI=1S/C11H20N4O4/c16-6-12-10(13-7-17)4-2-1-3-5-11(14-8-18)15-9-19/h6-11H,1-5H2,(H,12,16)(H,13,17)(H,14,18)(H,15,19)
InChIKeyCALBPWXKYGBQOZ-UHFFFAOYSA-N
XLogP-1.43
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-formamido-3-hydroxypropyl)formamide
CID 174514222
N-(3-cyano-1-formamidopropyl)formamide
CID 57216094
N-(1-formamido-2-hydroxyethyl)formamide
CID 174444023
N-[(2R)-octan-2-yl]formamide
CID 5478865
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
N-[1-(methylamino)propyl]formamide
CID 87799267
N-nonan-4-ylformamide
CID 144801924
N-(1-hydroxyhexyl)formamide
CID 54387531
N-(5-formamidohexyl)formamide
CID 154679922
N-(4-methyl-1-oxodecan-2-yl)formamide
CID 166695285
N-heptan-4-ylformamide
CID 14473374
N-octan-4-ylformamide
CID 22178839

Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-triformamidoheptyl)formamide?
The IUPAC name of N-(1,7,7-triformamidoheptyl)formamide (CID 87649718) is N-(1,7,7-triformamidoheptyl)formamide.
What is the SMILES notation for N-(1,7,7-triformamidoheptyl)formamide?
The canonical SMILES for N-(1,7,7-triformamidoheptyl)formamide is O=CNC(CCCCCC(NC=O)NC=O)NC=O.
What is the InChIKey of N-(1,7,7-triformamidoheptyl)formamide?
The InChIKey is CALBPWXKYGBQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c16-6-12-10(13-7-17)4-2-1-3-5-11(14-8-18)15-9-19/h6-11H,1-5H2,(H,12,16)(H,13,17)(H,14,18)(H,15,19).
What are the key properties of N-(1,7,7-triformamidoheptyl)formamide?
N-(1,7,7-triformamidoheptyl)formamide has a molecular weight of 272.30 g/mol, XLogP of -1.43, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-triformamidoheptyl)formamide is sourced from PubChem (CID 87649718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).