N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide

C8H14F3N3O3 — CID 107485792

IUPACN-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCC(C(=O)NC(N)=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c1-5(6(16)13-7(12)17)14(2-3-15)4-8(9,10)11/h5,15H,2-4H2,1H3,(H3,12,13,16,17)
InChIKeyTZJPXHSOOWLUFY-UHFFFAOYSA-N
MW257.21 g/mol
LogP-0.57
Rot. Bonds5

About N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide

N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 107485792) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID107485792
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC NameN-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCC(C(=O)NC(N)=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c1-5(6(16)13-7(12)17)14(2-3-15)4-8(9,10)11/h5,15H,2-4H2,1H3,(H3,12,13,16,17)
InChIKeyTZJPXHSOOWLUFY-UHFFFAOYSA-N
XLogP-0.57
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
CID 107481265
N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
CID 62021615
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 60706598
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968906
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide (CID 107485792) is N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide is CC(C(=O)NC(N)=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is TZJPXHSOOWLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c1-5(6(16)13-7(12)17)14(2-3-15)4-8(9,10)11/h5,15H,2-4H2,1H3,(H3,12,13,16,17).
What are the key properties of N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide?
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 257.21 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 107485792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).