(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

C22H31N3O3+2 — CID 8793434

IUPAC(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-24(15-18-5-9-21(27-2)10-6-18)17-22(26)23-20-7-3-19(4-8-20)16-25-11-13-28-14-12-25/h3-10H,11-17H2,1-2H3,(H,23,26)/p+2
InChIKeyUAOVEWYVPJWUKQ-UHFFFAOYSA-P
MW385.51 g/mol
LogP-0.24
Rot. Bonds8

About (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium

(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (PubChem CID 8793434) has the molecular formula C22H31N3O3+2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
PubChem CID8793434
Molecular FormulaC22H31N3O3+2
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-24(15-18-5-9-21(27-2)10-6-18)17-22(26)23-20-7-3-19(4-8-20)16-25-11-13-28-14-12-25/h3-10H,11-17H2,1-2H3,(H,23,26)/p+2
InChIKeyUAOVEWYVPJWUKQ-UHFFFAOYSA-P
XLogP-0.24
TPSA56.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8845878
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8694855
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2534470
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8817977
2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 9338299
(3-bromo-4-methoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818401
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761118
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8793414
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
CID 9040335

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium (CID 8793434) is (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is COc1ccc(C[NH+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
The InChIKey is UAOVEWYVPJWUKQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H29N3O3/c1-24(15-18-5-9-21(27-2)10-6-18)17-22(26)23-20-7-3-19(4-8-20)16-25-11-13-28-14-12-25/h3-10H,11-17H2,1-2H3,(H,23,26)/p+2.
What are the key properties of (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium?
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium has a molecular weight of 385.51 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8793434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).