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

C15H22FN3O2 — CID 112991593

IUPACN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)CCCNC(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-19(2)8-4-7-17-15(21)11-18-14(20)10-12-5-3-6-13(16)9-12/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyHKJJJWBAZNZGPD-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.55
Rot. Bonds8

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

N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 112991593) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID112991593
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)CCCNC(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-19(2)8-4-7-17-15(21)11-18-14(20)10-12-5-3-6-13(16)9-12/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyHKJJJWBAZNZGPD-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55787160
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 112991593) is N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is CN(C)CCCNC(=O)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HKJJJWBAZNZGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-19(2)8-4-7-17-15(21)11-18-14(20)10-12-5-3-6-13(16)9-12/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 112991593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).