2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide

C16H26FN3O — CID 28568733

IUPAC2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCC(C)N(CCNCC(=O)Nc1ccccc1F)C(C)C
InChIInChI=1S/C16H26FN3O/c1-12(2)20(13(3)4)10-9-18-11-16(21)19-15-8-6-5-7-14(15)17/h5-8,12-13,18H,9-11H2,1-4H3,(H,19,21)
InChIKeyYMJOBJHFUNLTLS-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.47
Rot. Bonds8

About 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide

2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 28568733) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
PubChem CID28568733
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCC(C)N(CCNCC(=O)Nc1ccccc1F)C(C)C
InChIInChI=1S/C16H26FN3O/c1-12(2)20(13(3)4)10-9-18-11-16(21)19-15-8-6-5-7-14(15)17/h5-8,12-13,18H,9-11H2,1-4H3,(H,19,21)
InChIKeyYMJOBJHFUNLTLS-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.47
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-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
CID 106010205
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 61464633
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide (CID 28568733) is 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide is CC(C)N(CCNCC(=O)Nc1ccccc1F)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is YMJOBJHFUNLTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-12(2)20(13(3)4)10-9-18-11-16(21)19-15-8-6-5-7-14(15)17/h5-8,12-13,18H,9-11H2,1-4H3,(H,19,21).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 295.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 28568733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).