N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C21H26FN3O2 — CID 55787160

IUPACN-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)C(CNC(=O)CNC(=O)Cc1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C21H26FN3O2/c1-25(2)19(12-16-7-4-3-5-8-16)14-23-21(27)15-24-20(26)13-17-9-6-10-18(22)11-17/h3-11,19H,12-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZYYNLFIVBVQBSF-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.77
Rot. Bonds9

About N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 55787160) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID55787160
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)C(CNC(=O)CNC(=O)Cc1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C21H26FN3O2/c1-25(2)19(12-16-7-4-3-5-8-16)14-23-21(27)15-24-20(26)13-17-9-6-10-18(22)11-17/h3-11,19H,12-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZYYNLFIVBVQBSF-UHFFFAOYSA-N
XLogP1.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[2-(dimethylamino)-3-phenylpropyl]-2-(4-fluorophenoxy)acetamide
CID 51305430
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
CID 34957506
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
CID 24639990
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 55787160) is N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is CN(C)C(CNC(=O)CNC(=O)Cc1cccc(F)c1)Cc1ccccc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is ZYYNLFIVBVQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-25(2)19(12-16-7-4-3-5-8-16)14-23-21(27)15-24-20(26)13-17-9-6-10-18(22)11-17/h3-11,19H,12-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 55787160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).