2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide

C20H25FN2O — CID 9133439

IUPAC2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)[C@H](NCC(=O)N[C@H](C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-14(2)20(17-9-11-18(21)12-10-17)22-13-19(24)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,20,22H,13H2,1-3H3,(H,23,24)/t15-,20+/m1/s1
InChIKeyWLVZREYGCSPZSY-QRWLVFNGSA-N
MW328.43 g/mol
LogP3.99
Rot. Bonds7

About 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9133439) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9133439
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(C)[C@H](NCC(=O)N[C@H](C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-14(2)20(17-9-11-18(21)12-10-17)22-13-19(24)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,20,22H,13H2,1-3H3,(H,23,24)/t15-,20+/m1/s1
InChIKeyWLVZREYGCSPZSY-QRWLVFNGSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9133436
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide (CID 9133439) is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide is CC(C)[C@H](NCC(=O)N[C@H](C)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is WLVZREYGCSPZSY-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-14(2)20(17-9-11-18(21)12-10-17)22-13-19(24)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,20,22H,13H2,1-3H3,(H,23,24)/t15-,20+/m1/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 328.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9133439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).