2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide

C8H16F2N4O2 — CID 107494446

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(CCN)CC(F)F
InChIInChI=1S/C8H16F2N4O2/c1-5(7(15)13-8(12)16)14(3-2-11)4-6(9)10/h5-6H,2-4,11H2,1H3,(H3,12,13,15,16)
InChIKeyOVHFYWRUJBMIGQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.90
Rot. Bonds6

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide (PubChem CID 107494446) has the molecular formula C8H16F2N4O2 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
PubChem CID107494446
Molecular FormulaC8H16F2N4O2
Molecular Weight238.24 g/mol
Exact Mass238.12
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(CCN)CC(F)F
InChIInChI=1S/C8H16F2N4O2/c1-5(7(15)13-8(12)16)14(3-2-11)4-6(9)10/h5-6H,2-4,11H2,1H3,(H3,12,13,15,16)
InChIKeyOVHFYWRUJBMIGQ-UHFFFAOYSA-N
XLogP-0.90
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065381
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968906
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide (CID 107494446) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide?
The InChIKey is OVHFYWRUJBMIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N4O2/c1-5(7(15)13-8(12)16)14(3-2-11)4-6(9)10/h5-6H,2-4,11H2,1H3,(H3,12,13,15,16).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide has a molecular weight of 238.24 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 107494446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).