N-[2-(methylcarbamoylamino)ethyl]acetamide

C6H13N3O2 — CID 3255133

IUPACN-[2-(methylcarbamoylamino)ethyl]acetamide
SMILESCNC(=O)NCCNC(C)=O
InChIInChI=1S/C6H13N3O2/c1-5(10)8-3-4-9-6(11)7-2/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11)
InChIKeyPVNUVXHZYGFVCJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.95
Rot. Bonds3

About N-[2-(methylcarbamoylamino)ethyl]acetamide

N-[2-(methylcarbamoylamino)ethyl]acetamide (PubChem CID 3255133) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[2-(methylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylcarbamoylamino)ethyl]acetamide
PubChem CID3255133
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-[2-(methylcarbamoylamino)ethyl]acetamide
SMILESCNC(=O)NCCNC(C)=O
InChIInChI=1S/C6H13N3O2/c1-5(10)8-3-4-9-6(11)7-2/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11)
InChIKeyPVNUVXHZYGFVCJ-UHFFFAOYSA-N
XLogP-0.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(methylcarbamoylamino)ethyl]acetamide (CID 3255133) is N-[2-(methylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(methylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(methylcarbamoylamino)ethyl]acetamide is CNC(=O)NCCNC(C)=O.
What is the InChIKey of N-[2-(methylcarbamoylamino)ethyl]acetamide?
The InChIKey is PVNUVXHZYGFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-5(10)8-3-4-9-6(11)7-2/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11).
What are the key properties of N-[2-(methylcarbamoylamino)ethyl]acetamide?
N-[2-(methylcarbamoylamino)ethyl]acetamide has a molecular weight of 159.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 3255133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).