N-[2-(formamidomethyl)butyl]formamide

C7H14N2O2 — CID 59861734

IUPACN-[2-(formamidomethyl)butyl]formamide
SMILESCCC(CNC=O)CNC=O
InChIInChI=1S/C7H14N2O2/c1-2-7(3-8-5-10)4-9-6-11/h5-7H,2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyZJRYZOWHBXXSFH-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.50
Rot. Bonds7

About N-[2-(formamidomethyl)butyl]formamide

N-[2-(formamidomethyl)butyl]formamide (PubChem CID 59861734) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[2-(formamidomethyl)butyl]formamide.

Molecular Properties

Compound NameN-[2-(formamidomethyl)butyl]formamide
PubChem CID59861734
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[2-(formamidomethyl)butyl]formamide
SMILESCCC(CNC=O)CNC=O
InChIInChI=1S/C7H14N2O2/c1-2-7(3-8-5-10)4-9-6-11/h5-7H,2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyZJRYZOWHBXXSFH-UHFFFAOYSA-N
XLogP-0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(formamidomethyl)butyl]formamide?
The IUPAC name of N-[2-(formamidomethyl)butyl]formamide (CID 59861734) is N-[2-(formamidomethyl)butyl]formamide.
What is the SMILES notation for N-[2-(formamidomethyl)butyl]formamide?
The canonical SMILES for N-[2-(formamidomethyl)butyl]formamide is CCC(CNC=O)CNC=O.
What is the InChIKey of N-[2-(formamidomethyl)butyl]formamide?
The InChIKey is ZJRYZOWHBXXSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-7(3-8-5-10)4-9-6-11/h5-7H,2-4H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N-[2-(formamidomethyl)butyl]formamide?
N-[2-(formamidomethyl)butyl]formamide has a molecular weight of 158.20 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(formamidomethyl)butyl]formamide is sourced from PubChem (CID 59861734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).