N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide

C20H25FN2O — CID 120885216

IUPACN-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
SMILESCC(CC(=O)N(CCN)CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-16(18-9-5-6-10-19(18)21)15-20(24)23(14-12-22)13-11-17-7-3-2-4-8-17/h2-10,16H,11-15,22H2,1H3
InChIKeyKEDNIMNLVDKEDZ-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.35
Rot. Bonds8

About N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide

N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide (PubChem CID 120885216) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
PubChem CID120885216
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
SMILESCC(CC(=O)N(CCN)CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-16(18-9-5-6-10-19(18)21)15-20(24)23(14-12-22)13-11-17-7-3-2-4-8-17/h2-10,16H,11-15,22H2,1H3
InChIKeyKEDNIMNLVDKEDZ-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884859
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886147
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide (CID 120885216) is N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide is CC(CC(=O)N(CCN)CCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide?
The InChIKey is KEDNIMNLVDKEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-16(18-9-5-6-10-19(18)21)15-20(24)23(14-12-22)13-11-17-7-3-2-4-8-17/h2-10,16H,11-15,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide?
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide has a molecular weight of 328.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 120885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).