2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide

C14H21FN2O — CID 115626967

IUPAC2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
SMILESCC(NCC(=O)Nc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-10(14(2,3)4)16-9-13(18)17-12-7-5-6-11(15)8-12/h5-8,10,16H,9H2,1-4H3,(H,17,18)
InChIKeyOFONMKMXHQGOMQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.79
Rot. Bonds4

About 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide

2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide (PubChem CID 115626967) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
PubChem CID115626967
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
SMILESCC(NCC(=O)Nc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C14H21FN2O/c1-10(14(2,3)4)16-9-13(18)17-12-7-5-6-11(15)8-12/h5-8,10,16H,9H2,1-4H3,(H,17,18)
InChIKeyOFONMKMXHQGOMQ-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 71986887
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474061
N-(3-fluorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81407084
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791972
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide (CID 115626967) is 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide is CC(NCC(=O)Nc1cccc(F)c1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide?
The InChIKey is OFONMKMXHQGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(14(2,3)4)16-9-13(18)17-12-7-5-6-11(15)8-12/h5-8,10,16H,9H2,1-4H3,(H,17,18).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide?
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 115626967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).