3-(ethylcarbamoylamino)-N-propylpropanamide

C9H19N3O2 — CID 71939447

IUPAC3-(ethylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCC
InChIInChI=1S/C9H19N3O2/c1-3-6-11-8(13)5-7-12-9(14)10-4-2/h3-7H2,1-2H3,(H,11,13)(H2,10,12,14)
InChIKeyLSLIXNYBQFDKEN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.22
Rot. Bonds6

About 3-(ethylcarbamoylamino)-N-propylpropanamide

3-(ethylcarbamoylamino)-N-propylpropanamide (PubChem CID 71939447) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(ethylcarbamoylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(ethylcarbamoylamino)-N-propylpropanamide
PubChem CID71939447
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(ethylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCC
InChIInChI=1S/C9H19N3O2/c1-3-6-11-8(13)5-7-12-9(14)10-4-2/h3-7H2,1-2H3,(H,11,13)(H2,10,12,14)
InChIKeyLSLIXNYBQFDKEN-UHFFFAOYSA-N
XLogP0.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoylamino)-N-propylpropanamide?
The IUPAC name of 3-(ethylcarbamoylamino)-N-propylpropanamide (CID 71939447) is 3-(ethylcarbamoylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(ethylcarbamoylamino)-N-propylpropanamide?
The canonical SMILES for 3-(ethylcarbamoylamino)-N-propylpropanamide is CCCNC(=O)CCNC(=O)NCC.
What is the InChIKey of 3-(ethylcarbamoylamino)-N-propylpropanamide?
The InChIKey is LSLIXNYBQFDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-6-11-8(13)5-7-12-9(14)10-4-2/h3-7H2,1-2H3,(H,11,13)(H2,10,12,14).
What are the key properties of 3-(ethylcarbamoylamino)-N-propylpropanamide?
3-(ethylcarbamoylamino)-N-propylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoylamino)-N-propylpropanamide is sourced from PubChem (CID 71939447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).