N-[2-(carbamoylamino)ethyl]propanamide

C6H13N3O2 — CID 78993883

IUPACN-[2-(carbamoylamino)ethyl]propanamide
SMILESCCC(=O)NCCNC(N)=O
InChIInChI=1S/C6H13N3O2/c1-2-5(10)8-3-4-9-6(7)11/h2-4H2,1H3,(H,8,10)(H3,7,9,11)
InChIKeyDEIICQKCGXGDFH-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.82
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]propanamide

N-[2-(carbamoylamino)ethyl]propanamide (PubChem CID 78993883) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]propanamide
PubChem CID78993883
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-[2-(carbamoylamino)ethyl]propanamide
SMILESCCC(=O)NCCNC(N)=O
InChIInChI=1S/C6H13N3O2/c1-2-5(10)8-3-4-9-6(7)11/h2-4H2,1H3,(H,8,10)(H3,7,9,11)
InChIKeyDEIICQKCGXGDFH-UHFFFAOYSA-N
XLogP-0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.82
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-(carbamoylamino)ethyl]propanamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]propanamide (CID 78993883) is N-[2-(carbamoylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]propanamide is CCC(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]propanamide?
The InChIKey is DEIICQKCGXGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-5(10)8-3-4-9-6(7)11/h2-4H2,1H3,(H,8,10)(H3,7,9,11).
What are the key properties of N-[2-(carbamoylamino)ethyl]propanamide?
N-[2-(carbamoylamino)ethyl]propanamide has a molecular weight of 159.19 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]propanamide is sourced from PubChem (CID 78993883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).