2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide

C13H20FN3O — CID 61351246

IUPAC2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
SMILESCC(C)N(CCN)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-10(2)17(7-6-15)9-13(18)16-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyKJTOTZOVOAJTAR-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide

2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 61351246) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID61351246
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
SMILESCC(C)N(CCN)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-10(2)17(7-6-15)9-13(18)16-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyKJTOTZOVOAJTAR-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022595
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide (CID 61351246) is 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide is CC(C)N(CCN)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is KJTOTZOVOAJTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-10(2)17(7-6-15)9-13(18)16-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide?
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 253.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 61351246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).