N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide

C7H13N3O3 — CID 11805472

IUPACN-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide
SMILESO=CNCCN(C=O)CCNC=O
InChIInChI=1S/C7H13N3O3/c11-5-8-1-3-10(7-13)4-2-9-6-12/h5-7H,1-4H2,(H,8,11)(H,9,12)
InChIKeyNTTPNQCENHDBNP-UHFFFAOYSA-N
MW187.20 g/mol
LogP-2.06
Rot. Bonds9

About N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide

N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide (PubChem CID 11805472) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide
PubChem CID11805472
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide
SMILESO=CNCCN(C=O)CCNC=O
InChIInChI=1S/C7H13N3O3/c11-5-8-1-3-10(7-13)4-2-9-6-12/h5-7H,1-4H2,(H,8,11)(H,9,12)
InChIKeyNTTPNQCENHDBNP-UHFFFAOYSA-N
XLogP-2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide?
The IUPAC name of N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide (CID 11805472) is N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide?
The canonical SMILES for N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide is O=CNCCN(C=O)CCNC=O.
What is the InChIKey of N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide?
The InChIKey is NTTPNQCENHDBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c11-5-8-1-3-10(7-13)4-2-9-6-12/h5-7H,1-4H2,(H,8,11)(H,9,12).
What are the key properties of N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide?
N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide has a molecular weight of 187.20 g/mol, XLogP of -2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-formamidoethyl(formyl)amino]ethyl]formamide is sourced from PubChem (CID 11805472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).