N-(ethylcarbamoyl)formamide

C4H8N2O2 — CID 22759544

IUPACN-(ethylcarbamoyl)formamide
SMILESCCNC(=O)NC=O
InChIInChI=1S/C4H8N2O2/c1-2-5-4(8)6-3-7/h3H,2H2,1H3,(H2,5,6,7,8)
InChIKeyZYCUSEVNSAOQPQ-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.54
Rot. Bonds2

About N-(ethylcarbamoyl)formamide

N-(ethylcarbamoyl)formamide (PubChem CID 22759544) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N-(ethylcarbamoyl)formamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)formamide
PubChem CID22759544
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN-(ethylcarbamoyl)formamide
SMILESCCNC(=O)NC=O
InChIInChI=1S/C4H8N2O2/c1-2-5-4(8)6-3-7/h3H,2H2,1H3,(H2,5,6,7,8)
InChIKeyZYCUSEVNSAOQPQ-UHFFFAOYSA-N
XLogP-0.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.54
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-(ethylcarbamoyl)formamide?
The IUPAC name of N-(ethylcarbamoyl)formamide (CID 22759544) is N-(ethylcarbamoyl)formamide.
What is the SMILES notation for N-(ethylcarbamoyl)formamide?
The canonical SMILES for N-(ethylcarbamoyl)formamide is CCNC(=O)NC=O.
What is the InChIKey of N-(ethylcarbamoyl)formamide?
The InChIKey is ZYCUSEVNSAOQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-5-4(8)6-3-7/h3H,2H2,1H3,(H2,5,6,7,8).
What are the key properties of N-(ethylcarbamoyl)formamide?
N-(ethylcarbamoyl)formamide has a molecular weight of 116.12 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)formamide is sourced from PubChem (CID 22759544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).