(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

C19H25N2O2+ — CID 9124262

IUPAC(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCCOc1ccccc1C[NH+](C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-8-6-5-7-17(18)14-21(3)13-15-9-11-16(12-10-15)19(22)20-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)/p+1
InChIKeySORYLHPVBCQOOC-UHFFFAOYSA-O
MW313.42 g/mol
LogP1.66
Rot. Bonds7

About (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (PubChem CID 9124262) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
PubChem CID9124262
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCCOc1ccccc1C[NH+](C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-8-6-5-7-17(18)14-21(3)13-15-9-11-16(12-10-15)19(22)20-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)/p+1
InChIKeySORYLHPVBCQOOC-UHFFFAOYSA-O
XLogP1.66
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123291
[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124286
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
CID 53287155
methyl-(3-methylbut-2-enyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124553
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-nitrophenyl)methyl]azanium
CID 9003026
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125699
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
(1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124571
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119317364
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
ethane;2-ethoxy-N-methylbenzamide
CID 142472808

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (CID 9124262) is (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is CCOc1ccccc1C[NH+](C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is SORYLHPVBCQOOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-18-8-6-5-7-17(18)14-21(3)13-15-9-11-16(12-10-15)19(22)20-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)/p+1.
What are the key properties of (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 313.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 9124262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).