N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide

C20H25FN2O — CID 109024994

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(=O)NCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H25FN2O/c1-14-12-15(2)20(16(3)13-14)23-11-9-19(24)22-10-8-17-4-6-18(21)7-5-17/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,24)
InChIKeyMBVQMTOMDGTGKH-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide

N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide (PubChem CID 109024994) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
PubChem CID109024994
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(=O)NCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H25FN2O/c1-14-12-15(2)20(16(3)13-14)23-11-9-19(24)22-10-8-17-4-6-18(21)7-5-17/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,24)
InChIKeyMBVQMTOMDGTGKH-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide
CID 31090265
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide (CID 109024994) is N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide is Cc1cc(C)c(NCCC(=O)NCCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide?
The InChIKey is MBVQMTOMDGTGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-14-12-15(2)20(16(3)13-14)23-11-9-19(24)22-10-8-17-4-6-18(21)7-5-17/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide has a molecular weight of 328.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide is sourced from PubChem (CID 109024994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).