N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide

C10H20FN3O2 — CID 59661790

IUPACN-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCCF)C(=O)NC
InChIInChI=1S/C10H20FN3O2/c1-3-9(15)13-6-8-14(7-4-5-11)10(16)12-2/h3-8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyPLYKLAGKXCRSIM-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.51
Rot. Bonds7

About N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide

N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide (PubChem CID 59661790) has the molecular formula C10H20FN3O2 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
PubChem CID59661790
Molecular FormulaC10H20FN3O2
Molecular Weight233.29 g/mol
Exact Mass233.15
IUPAC NameN-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCCF)C(=O)NC
InChIInChI=1S/C10H20FN3O2/c1-3-9(15)13-6-8-14(7-4-5-11)10(16)12-2/h3-8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyPLYKLAGKXCRSIM-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide (CID 59661790) is N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide is CCC(=O)NCCN(CCCF)C(=O)NC.
What is the InChIKey of N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide?
The InChIKey is PLYKLAGKXCRSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3O2/c1-3-9(15)13-6-8-14(7-4-5-11)10(16)12-2/h3-8H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide?
N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide has a molecular weight of 233.29 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide is sourced from PubChem (CID 59661790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).