3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide

C19H23F2N3O — CID 120871752

IUPAC3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
SMILESNCCN(CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1
InChIInChI=1S/C19H23F2N3O/c20-16-12-17(21)14-18(13-16)23-19(25)7-10-24(11-8-22)9-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11,22H2,(H,23,25)
InChIKeyFXRRBFRFSLLITA-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.80
Rot. Bonds9

About 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide

3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide (PubChem CID 120871752) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
PubChem CID120871752
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
SMILESNCCN(CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1
InChIInChI=1S/C19H23F2N3O/c20-16-12-17(21)14-18(13-16)23-19(25)7-10-24(11-8-22)9-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11,22H2,(H,23,25)
InChIKeyFXRRBFRFSLLITA-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120871594
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773
3-benzylsulfonyl-N-(3,5-difluorophenyl)propanamide
CID 7354611

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide?
The IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide (CID 120871752) is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide?
The canonical SMILES for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide is NCCN(CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1.
What is the InChIKey of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide?
The InChIKey is FXRRBFRFSLLITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-16-12-17(21)14-18(13-16)23-19(25)7-10-24(11-8-22)9-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11,22H2,(H,23,25).
What are the key properties of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide?
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide has a molecular weight of 347.41 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide is sourced from PubChem (CID 120871752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).