[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium

C19H23F2N2O2+ — CID 8830727

IUPAC[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H22F2N2O2/c1-3-22-18(24)13(2)23-17(14-7-5-4-6-8-14)15-9-11-16(12-10-15)25-19(20)21/h4-13,17,19,23H,3H2,1-2H3,(H,22,24)/p+1/t13-,17+/m1/s1
InChIKeyBDMHUVRJMXDNFL-DYVFJYSZSA-O
MW349.40 g/mol
LogP2.47
Rot. Bonds8

About [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium

[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8830727) has the molecular formula C19H23F2N2O2+ and a molecular weight of 349.40 g/mol. Its IUPAC name is [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
PubChem CID8830727
Molecular FormulaC19H23F2N2O2+
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
SMILESCCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H22F2N2O2/c1-3-22-18(24)13(2)23-17(14-7-5-4-6-8-14)15-9-11-16(12-10-15)25-19(20)21/h4-13,17,19,23H,3H2,1-2H3,(H,22,24)/p+1/t13-,17+/m1/s1
InChIKeyBDMHUVRJMXDNFL-DYVFJYSZSA-O
XLogP2.47
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830749
[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8774591
[(2S)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720414
[(2R)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720416
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
CID 9445876
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830957
2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8830857
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 8720398
benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 9445898
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720424
[2-(butylcarbamoylamino)-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8830996

Frequently Asked Questions

What is the IUPAC name of [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium (CID 8830727) is [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium is CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is BDMHUVRJMXDNFL-DYVFJYSZSA-O. The full InChI is InChI=1S/C19H22F2N2O2/c1-3-22-18(24)13(2)23-17(14-7-5-4-6-8-14)15-9-11-16(12-10-15)25-19(20)21/h4-13,17,19,23H,3H2,1-2H3,(H,22,24)/p+1/t13-,17+/m1/s1.
What are the key properties of [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium?
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 349.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8830727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).