methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium

C19H23N4O3+ — CID 8006194

IUPACmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
SMILESC=CCNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H22N4O3/c1-3-11-20-19(26)22-18(25)13-23(2)12-17(24)21-16-10-6-8-14-7-4-5-9-15(14)16/h3-10H,1,11-13H2,2H3,(H,21,24)(H2,20,22,25,26)/p+1
InChIKeyJVPIJSJLNULIQZ-UHFFFAOYSA-O
MW355.42 g/mol
LogP0.30
Rot. Bonds7

About methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium

methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium (PubChem CID 8006194) has the molecular formula C19H23N4O3+ and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
PubChem CID8006194
Molecular FormulaC19H23N4O3+
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Namemethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
SMILESC=CCNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H22N4O3/c1-3-11-20-19(26)22-18(25)13-23(2)12-17(24)21-16-10-6-8-14-7-4-5-9-15(14)16/h3-10H,1,11-13H2,2H3,(H,21,24)(H2,20,22,25,26)/p+1
InChIKeyJVPIJSJLNULIQZ-UHFFFAOYSA-O
XLogP0.30
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 9466761
2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 60572967
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9036523
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2548867
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9287497
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
CID 108911459
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium?
The IUPAC name of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium (CID 8006194) is methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium?
The canonical SMILES for methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium is C=CCNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium?
The InChIKey is JVPIJSJLNULIQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O3/c1-3-11-20-19(26)22-18(25)13-23(2)12-17(24)21-16-10-6-8-14-7-4-5-9-15(14)16/h3-10H,1,11-13H2,2H3,(H,21,24)(H2,20,22,25,26)/p+1.
What are the key properties of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium?
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium has a molecular weight of 355.42 g/mol, XLogP of 0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8006194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).