N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide

C19H22F2N2O2 — CID 120886600

IUPACN-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C19H22F2N2O2/c1-14(25-16-7-8-17(20)18(21)13-16)19(24)23(12-10-22)11-9-15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3
InChIKeyOFFMFDDBRCLLNU-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.76
Rot. Bonds8

About N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide (PubChem CID 120886600) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
PubChem CID120886600
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC NameN-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C19H22F2N2O2/c1-14(25-16-7-8-17(20)18(21)13-16)19(24)23(12-10-22)11-9-15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3
InChIKeyOFFMFDDBRCLLNU-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide
CID 124739283
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
CID 54790094
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886147
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide (CID 120886600) is N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide?
The InChIKey is OFFMFDDBRCLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-14(25-16-7-8-17(20)18(21)13-16)19(24)23(12-10-22)11-9-15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide has a molecular weight of 348.39 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120886600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).