cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium

C16H25N2O2+ — CID 8770819

IUPACcyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium
SMILESCCNC(=O)[C@H](C)[NH+](Cc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-16(19)12(2)18(14-7-8-14)11-13-5-9-15(20-3)10-6-13/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1
InChIKeyNPGZNQTWSMDCQB-LBPRGKRZSA-O
MW277.39 g/mol
LogP0.77
Rot. Bonds7

About cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium

cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 8770819) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium
PubChem CID8770819
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Namecyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium
SMILESCCNC(=O)[C@H](C)[NH+](Cc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-4-17-16(19)12(2)18(14-7-8-14)11-13-5-9-15(20-3)10-6-13/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1
InChIKeyNPGZNQTWSMDCQB-LBPRGKRZSA-O
XLogP0.77
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-methoxyphenyl)methyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 8770583
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594713
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
CID 8793440
(4-bromophenyl)methyl-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8539666
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 61476867
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium (CID 8770819) is cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium is CCNC(=O)[C@H](C)[NH+](Cc1ccc(OC)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is NPGZNQTWSMDCQB-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-16(19)12(2)18(14-7-8-14)11-13-5-9-15(20-3)10-6-13/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium?
cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 277.39 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8770819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).