2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide

C15H24FN3O — CID 62008565

IUPAC2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)CN
InChIInChI=1S/C15H24FN3O/c1-4-9-19(15(2,3)11-17)10-14(20)18-13-7-5-12(16)6-8-13/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)
InChIKeyILDRMMRBNYBTET-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.21
Rot. Bonds7

About 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide

2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 62008565) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide
PubChem CID62008565
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)CN
InChIInChI=1S/C15H24FN3O/c1-4-9-19(15(2,3)11-17)10-14(20)18-13-7-5-12(16)6-8-13/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)
InChIKeyILDRMMRBNYBTET-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62822057
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
CID 9014971
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(4-aminopyrimidin-2-yl)methyl-tert-butylamino]-N-(4-fluorophenyl)acetamide
CID 122141654
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide (CID 62008565) is 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)CN.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is ILDRMMRBNYBTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-9-19(15(2,3)11-17)10-14(20)18-13-7-5-12(16)6-8-13/h5-8H,4,9-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide?
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 62008565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).