N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide

C15H23FN2O — CID 62637670

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-10(17-5)14(19)18-13(15(2,3)4)11-6-8-12(16)9-7-11/h6-10,13,17H,1-5H3,(H,18,19)
InChIKeyAEXNJTMQMUNHFI-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide (PubChem CID 62637670) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
PubChem CID62637670
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-10(17-5)14(19)18-13(15(2,3)4)11-6-8-12(16)9-7-11/h6-10,13,17H,1-5H3,(H,18,19)
InChIKeyAEXNJTMQMUNHFI-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 104684157
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 97000024
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
CID 97070023
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
1-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1-carboxamide
CID 60852822
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide (CID 62637670) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide?
The InChIKey is AEXNJTMQMUNHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(17-5)14(19)18-13(15(2,3)4)11-6-8-12(16)9-7-11/h6-10,13,17H,1-5H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide has a molecular weight of 266.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide is sourced from PubChem (CID 62637670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).