N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide

C18H28FN3O2 — CID 46995000

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C18H28FN3O2/c1-13-6-7-14(19)15(10-13)21-17(24)9-8-16(23)20-11-18(2,3)12-22(4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyQXTKXQMNNWPDMA-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.56
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide (PubChem CID 46995000) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
PubChem CID46995000
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C18H28FN3O2/c1-13-6-7-14(19)15(10-13)21-17(24)9-8-16(23)20-11-18(2,3)12-22(4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyQXTKXQMNNWPDMA-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
CID 46984462
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36805569
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
4-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]butanamide
CID 112792876
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate
CID 60707003
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide (CID 46995000) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide is Cc1ccc(F)c(NC(=O)CCC(=O)NCC(C)(C)CN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide?
The InChIKey is QXTKXQMNNWPDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-13-6-7-14(19)15(10-13)21-17(24)9-8-16(23)20-11-18(2,3)12-22(4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide has a molecular weight of 337.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide is sourced from PubChem (CID 46995000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).