[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium

C18H26N3O3+ — CID 8554899

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESC=CCN(CC=C)C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H25N3O3/c1-5-10-21(11-6-2)18(23)14-20(3)13-17(22)19-15-8-7-9-16(12-15)24-4/h5-9,12H,1-2,10-11,13-14H2,3-4H3,(H,19,22)/p+1
InChIKeyNFBGLLOGBAUKQD-UHFFFAOYSA-O
MW332.42 g/mol
LogP0.35
Rot. Bonds10

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium

[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8554899) has the molecular formula C18H26N3O3+ and a molecular weight of 332.42 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8554899
Molecular FormulaC18H26N3O3+
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESC=CCN(CC=C)C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H25N3O3/c1-5-10-21(11-6-2)18(23)14-20(3)13-17(22)19-15-8-7-9-16(12-15)24-4/h5-9,12H,1-2,10-11,13-14H2,3-4H3,(H,19,22)/p+1
InChIKeyNFBGLLOGBAUKQD-UHFFFAOYSA-O
XLogP0.35
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyanilino)-N,N-bis(prop-2-enyl)acetamide
CID 54814741
[2-(diethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 8692876
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
[(2S)-2-hydroxy-2-phenylethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9248212
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2567998
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9166865
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium
CID 2114294
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554816

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium (CID 8554899) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium is C=CCN(CC=C)C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is NFBGLLOGBAUKQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O3/c1-5-10-21(11-6-2)18(23)14-20(3)13-17(22)19-15-8-7-9-16(12-15)24-4/h5-9,12H,1-2,10-11,13-14H2,3-4H3,(H,19,22)/p+1.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 332.42 g/mol, XLogP of 0.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8554899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).