3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide

C16H25FN2O — CID 62851825

IUPAC3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H25FN2O/c1-5-18-10-12(4)16(20)19-15(11(2)3)13-6-8-14(17)9-7-13/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,19,20)
InChIKeyITMKQUDOICUAGA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.88
Rot. Bonds7

About 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide

3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide (PubChem CID 62851825) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
PubChem CID62851825
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H25FN2O/c1-5-18-10-12(4)16(20)19-15(11(2)3)13-6-8-14(17)9-7-13/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,19,20)
InChIKeyITMKQUDOICUAGA-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
CID 113292395
N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide (CID 62851825) is 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide is CCNCC(C)C(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide?
The InChIKey is ITMKQUDOICUAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-18-10-12(4)16(20)19-15(11(2)3)13-6-8-14(17)9-7-13/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,19,20).
What are the key properties of 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide?
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide is sourced from PubChem (CID 62851825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).