(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium

C22H31N2O3+ — CID 8773713

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2cc(OC)c(OC)cc2C)cc1
InChIInChI=1S/C22H30N2O3/c1-7-17-8-10-19(11-9-17)23-22(25)16(3)24(4)14-18-13-21(27-6)20(26-5)12-15(18)2/h8-13,16H,7,14H2,1-6H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyUPTYZNDGXBJPSY-MRXNPFEDSA-O
MW371.50 g/mol
LogP2.62
Rot. Bonds8

About (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium

(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 8773713) has the molecular formula C22H31N2O3+ and a molecular weight of 371.50 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID8773713
Molecular FormulaC22H31N2O3+
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCCc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2cc(OC)c(OC)cc2C)cc1
InChIInChI=1S/C22H30N2O3/c1-7-17-8-10-19(11-9-17)23-22(25)16(3)24(4)14-18-13-21(27-6)20(26-5)12-15(18)2/h8-13,16H,7,14H2,1-6H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyUPTYZNDGXBJPSY-MRXNPFEDSA-O
XLogP2.62
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8773727
(4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 9460714
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8551611
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 9460791
(4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8550948
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 9460787
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805602
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2657581
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium
CID 8773723
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8552175
2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9461299

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium (CID 8773713) is (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium is CCc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2cc(OC)c(OC)cc2C)cc1.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is UPTYZNDGXBJPSY-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H30N2O3/c1-7-17-8-10-19(11-9-17)23-22(25)16(3)24(4)14-18-13-21(27-6)20(26-5)12-15(18)2/h8-13,16H,7,14H2,1-6H3,(H,23,25)/p+1/t16-/m1/s1.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium?
(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 371.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8773713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).