N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C16H23FN2O — CID 62836250

IUPACN-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-4-18-16(2,3)15(20)19(14-9-10-14)11-12-5-7-13(17)8-6-12/h5-8,14,18H,4,9-11H2,1-3H3
InChIKeyBKHJJAGHPOMORI-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 62836250) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID62836250
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-4-18-16(2,3)15(20)19(14-9-10-14)11-12-5-7-13(17)8-6-12/h5-8,14,18H,4,9-11H2,1-3H3
InChIKeyBKHJJAGHPOMORI-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
CID 56538526
N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide
CID 78845257
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 62836250) is N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CCNC(C)(C)C(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is BKHJJAGHPOMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-18-16(2,3)15(20)19(14-9-10-14)11-12-5-7-13(17)8-6-12/h5-8,14,18H,4,9-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 278.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 62836250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).