N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

C20H32FN3O — CID 72934848

IUPACN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NC(C)(C)CN1CCCCCC1)c1ccccc1F
InChIInChI=1S/C20H32FN3O/c1-20(2,15-24-13-9-5-6-10-14-24)22-19(25)18(23(3)4)16-11-7-8-12-17(16)21/h7-8,11-12,18H,5-6,9-10,13-15H2,1-4H3,(H,22,25)
InChIKeyLIXBUTOVJQVEPQ-UHFFFAOYSA-N
MW349.49 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide (PubChem CID 72934848) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
PubChem CID72934848
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NC(C)(C)CN1CCCCCC1)c1ccccc1F
InChIInChI=1S/C20H32FN3O/c1-20(2,15-24-13-9-5-6-10-14-24)22-19(25)18(23(3)4)16-11-7-8-12-17(16)21/h7-8,11-12,18H,5-6,9-10,13-15H2,1-4H3,(H,22,25)
InChIKeyLIXBUTOVJQVEPQ-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 97130982
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 50974021
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide (CID 72934848) is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide is CN(C)C(C(=O)NC(C)(C)CN1CCCCCC1)c1ccccc1F.
What is the InChIKey of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide?
The InChIKey is LIXBUTOVJQVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-20(2,15-24-13-9-5-6-10-14-24)22-19(25)18(23(3)4)16-11-7-8-12-17(16)21/h7-8,11-12,18H,5-6,9-10,13-15H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide?
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide has a molecular weight of 349.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 72934848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).